4-ethylnonan-3-ol

C11H24O — CID 135150430

IUPAC4-ethylnonan-3-ol
SMILESCCCCCC(CC)C(O)CC
InChIInChI=1S/C11H24O/c1-4-7-8-9-10(5-2)11(12)6-3/h10-12H,4-9H2,1-3H3
InChIKeyCBVFAACEMHDOIL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds7

About 4-ethylnonan-3-ol

4-ethylnonan-3-ol (PubChem CID 135150430) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4-ethylnonan-3-ol.

Molecular Properties

Compound Name4-ethylnonan-3-ol
PubChem CID135150430
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4-ethylnonan-3-ol
SMILESCCCCCC(CC)C(O)CC
InChIInChI=1S/C11H24O/c1-4-7-8-9-10(5-2)11(12)6-3/h10-12H,4-9H2,1-3H3
InChIKeyCBVFAACEMHDOIL-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
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

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CID 530164
5-ethylpentadecane-6,7-diol
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5-ethyltetradecane-6,7-diol
CID 22726226
5-butylundecan-6-ol
CID 89253058
4-ethyloctane-1,3-diol
CID 57022453
19-heptadecan-3-ylnonatriacontane
CID 57212477

Frequently Asked Questions

What is the IUPAC name of 4-ethylnonan-3-ol?
The IUPAC name of 4-ethylnonan-3-ol (CID 135150430) is 4-ethylnonan-3-ol.
What is the SMILES notation for 4-ethylnonan-3-ol?
The canonical SMILES for 4-ethylnonan-3-ol is CCCCCC(CC)C(O)CC.
What is the InChIKey of 4-ethylnonan-3-ol?
The InChIKey is CBVFAACEMHDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-7-8-9-10(5-2)11(12)6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-ethylnonan-3-ol?
4-ethylnonan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnonan-3-ol is sourced from PubChem (CID 135150430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).