3-propylhexan-1-ol

C9H20O — CID 3028594

IUPAC3-propylhexan-1-ol
SMILESCCCC(CCC)CCO
InChIInChI=1S/C9H20O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-8H2,1-2H3
InChIKeyMHJIVMDBOGBUHH-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.59
Rot. Bonds6

About 3-propylhexan-1-ol

3-propylhexan-1-ol (PubChem CID 3028594) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-propylhexan-1-ol.

Molecular Properties

Compound Name3-propylhexan-1-ol
PubChem CID3028594
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-propylhexan-1-ol
SMILESCCCC(CCC)CCO
InChIInChI=1S/C9H20O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-8H2,1-2H3
InChIKeyMHJIVMDBOGBUHH-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexanol
CID 7720
3,7-Dimethyl-1-octanol
CID 7792
2-Ethyl-1,3-Hexanediol
CID 7211
3,5,5-Trimethyl-1-hexanol
CID 18938
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
4-Methylcyclohexanemethanol
CID 118193
2-Butyl-2-ethyl-1,3-propanediol
CID 61038
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
1-Pentanol, 2-propyl-
CID 123543
2-Ethyl-4-methylpentanol
CID 7821

Frequently Asked Questions

What is the IUPAC name of 3-propylhexan-1-ol?
The IUPAC name of 3-propylhexan-1-ol (CID 3028594) is 3-propylhexan-1-ol.
What is the SMILES notation for 3-propylhexan-1-ol?
The canonical SMILES for 3-propylhexan-1-ol is CCCC(CCC)CCO.
What is the InChIKey of 3-propylhexan-1-ol?
The InChIKey is MHJIVMDBOGBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-propylhexan-1-ol?
3-propylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhexan-1-ol is sourced from PubChem (CID 3028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).