3-propyloctan-1-ol

C11H24O — CID 22492569

IUPAC3-propyloctan-1-ol
SMILESCCCCCC(CCC)CCO
InChIInChI=1S/C11H24O/c1-3-5-6-8-11(7-4-2)9-10-12/h11-12H,3-10H2,1-2H3
InChIKeyCNPWHPYGZSAAOH-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.37
Rot. Bonds8

About 3-propyloctan-1-ol

3-propyloctan-1-ol (PubChem CID 22492569) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-propyloctan-1-ol.

Molecular Properties

Compound Name3-propyloctan-1-ol
PubChem CID22492569
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-propyloctan-1-ol
SMILESCCCCCC(CCC)CCO
InChIInChI=1S/C11H24O/c1-3-5-6-8-11(7-4-2)9-10-12/h11-12H,3-10H2,1-2H3
InChIKeyCNPWHPYGZSAAOH-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
3-propylheptan-1-ol
CID 22492543
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
3-octyldodecane-1,12-diol
CID 141481121
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
ethane;3-propylhexan-1-ol
CID 142096808
6-propyltetracosane
CID 91039357

Frequently Asked Questions

What is the IUPAC name of 3-propyloctan-1-ol?
The IUPAC name of 3-propyloctan-1-ol (CID 22492569) is 3-propyloctan-1-ol.
What is the SMILES notation for 3-propyloctan-1-ol?
The canonical SMILES for 3-propyloctan-1-ol is CCCCCC(CCC)CCO.
What is the InChIKey of 3-propyloctan-1-ol?
The InChIKey is CNPWHPYGZSAAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-3-5-6-8-11(7-4-2)9-10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-propyloctan-1-ol?
3-propyloctan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloctan-1-ol is sourced from PubChem (CID 22492569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).