Bis(4-hydroxybutyl) Adipate

CAT: 0572-TRC-B864830-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B864830-100MGSize:100 mg

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CAS Number

20985-13-1

Hazard Statement

No Data Available

Smiles

OCCCCOC(CCCCC(OCCCCO)=O)=O

Molecular Formula

C14H26O6

Molecular Weight

290.35

Chemical Information

1,6-Bis(4-hydroxybutyl) hexanedioate

CAS Number	20985-13-1
PubChem CID	88748
IUPAC Name	bis(4-hydroxybutyl) hexanedioate
Molecular Formula	C14H26O6
Molecular Weight	290.35
XLogP	0.6
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Heavy Atom Count	20
Formal Charge	0
Complexity	228

SMILES

C(CCC(=O)OCCCCO)CC(=O)OCCCCO

InChI

InChI=1S/C14H26O6/c15-9-3-5-11-19-13(17)7-1-2-8-14(18)20-12-6-4-10-16/h15-16H,1-12H2

InChIKey

MIPAMDMBINCYQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20985-13-1

CID: 88748

Formula: C14H26O6

MW: 290.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.35
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	290.17293854
Monoisotopic Mass	290.17293854
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-B443815-10MG	Bis(4-hydroxybutyl) Terephthalate
TRC-B443815-50MG	Bis(4-hydroxybutyl) Terephthalate
TRC-B443815-100MG	Bis(4-hydroxybutyl) Terephthalate
TRC-B433810-250G	Bis(2-ethylhexyl)adipate
TRC-B433810-100G	Bis(2-ethylhexyl)adipate
TRC-B433810-25G	Bis(2-ethylhexyl)adipate
TRC-B574490-25MG	O,O'-Butane-1,4-diyl bis(4-hydroxybutyl) diterephthalate
TRC-B574490-2.5MG	O,O'-Butane-1,4-diyl bis(4-hydroxybutyl) diterephthalate
TRC-B574490-10MG	O,O'-Butane-1,4-diyl bis(4-hydroxybutyl) diterephthalate
TRC-B748320-750MG	O,O'-Butane-1,4-diyl bis(4-hydroxybutyl) diterephthalate

Catalog	Name
MBS5780100	Bis(4-nitrophenyl) adipate
T30467-01	Bis (4-nitrophenyl) adipate
FA172437-01	Bis- (3,4-Epoxycyclohexylmethyl) adipate
FB62538-01	Bis (2-ethylhexyl) adipate
FB184385-01	Bis (1-butylpentyl) adipate
B13710	Bis- (2-Ethoxyethyl) adipate
sc-484666	Bis (2-butoxyethyl) Adipate
sc-268584	Bis (2-methoxyethyl) adipate
S-1965	Bis- (2-Ethylhexyl) adipate
OR1059170-01	Bis (2-hydroxyethyl) adipate