2,2,4-Trimethyl-1-Pentanol

CAT: 1596-AR-P01425-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01425-01Size:10 Units

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CAS Number

123-44-4

Synonyms

2,2,4-trimethylpentan-1-ol; 2,2,4-Trimethyl-1-pentanol; NSC 35410

Molecular Formula

C8H18O

Molecular Weight

130.23

API Name

Pentanol

Chemical Information

2,2,4-Trimethyl-1-pentanol

CAS Number	123-44-4
PubChem CID	31258
IUPAC Name	2,2,4-trimethylpentan-1-ol
Molecular Formula	C8H18O
Molecular Weight	130.23
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	74

SMILES

CC(C)CC(C)(C)CO

InChI

InChI=1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3

InChIKey

CWPPDTVYIJETDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-44-4

CID: 31258

Formula: C8H18O

MW: 130.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.23
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	74.6
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-P01424	4-Methyl-2-Pentanol
AR-P30748-01	2-Ethyl-4-Methyl-1-Pentanol
AR-P30753-01	2,2,4-Trimethyl-1,3-Pentanediol Diisobutyrate
AR-M03497-01	1-Amino-1-Pentanol
AR-N08315-01	1,5,7-Trimethyl-1,2,3,4-Tetrahydro-Naphthalene
AR-H07567-01	2,3,5-Trimethyl-1-Hexene
AR-P30754-01	3-Pentanol
AR-O08893-01	2,2,5-Trimethyl-3-nitrosooxazolidine
AR-P30751-01	Iso-Pentanol-d4
AR-A01817-01	3- (1,3,5-trimethyl-1,2,3,6-tetrahydropyridin-4-yl) phenol