1,5-Pentanediol

CAT: 1596-AR-P30750-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30750-02Size:25 Units

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CAS Number

111-29-5

Molecular Formula

C5H12O2

Molecular Weight

104.15

API Name

Pentanol

Chemical Information

1,5-Pentanediol

Pentane-1,5-diol is a primary alcohol.

CAS Number	111-29-5
PubChem CID	8105
IUPAC Name	pentane-1,5-diol
Molecular Formula	C5H12O2
Molecular Weight	104.15
XLogP	-0.1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	25

SMILES

C(CCO)CCO

InChI

InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey

ALQSHHUCVQOPAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-29-5

CID: 8105

Formula: C5H12O2

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	104.083729621
Monoisotopic Mass	104.083729621
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	25.3
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
AR-P30753-01	2,2,4-Trimethyl-1,3-Pentanediol Diisobutyrate
AR-E08872-01	1- (4-Fluorophenyl) -5-[ (4S) -2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione
AR-P01417-01	1-Pentanethiol
AR-S01523-01	1,1,3,3,5,5-Hexamethyltrisiloxane-1,5-diol
AR-F01095-01	5- ((1,4-diazepan-1-yl) sulfonyl) -1,5'-biisoquinoline
AR-B06596-01	1,5-Benzodiazepine
AR-M03081-01	1,5-Dibromopentane
AR-M05371-01	1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione
AR-S01524-01	1,1,3,3,5,5,7,7-Octamethyl-1,7-Tetrasiloxanediol
AR-C03800-01	Cyclopentylamine-1,2,2,5,5-d5

Catalog	Name
TRC-P273405-25G	1,5-Pentanediol
E8236	1,5-pentanediol-d10
04260-25	1,5-Pentanediol dimethacrylate
sc-223093	1,5-Pentanediol diacetate
OR938344-01	1,5-Pentanediol diacrylate
P04040	1,5-Pentanediol 97%
TRC-D476735-500MG	1,1-Dimethyl-1,5-pentanediol
423671-01	3-Amino-1,5-pentanediol
sc-231829	3-Methyl-1,5-pentanediol