3-ethyl-2-methylnon-1-en-4-ol

C12H24O — CID 15717616

IUPAC3-ethyl-2-methylnon-1-en-4-ol
SMILESC=C(C)C(CC)C(O)CCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-12(13)11(6-2)10(3)4/h11-13H,3,5-9H2,1-2,4H3
InChIKeyWBXWNCHENXKDNX-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds7

About 3-ethyl-2-methylnon-1-en-4-ol

3-ethyl-2-methylnon-1-en-4-ol (PubChem CID 15717616) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-ethyl-2-methylnon-1-en-4-ol.

Molecular Properties

Compound Name3-ethyl-2-methylnon-1-en-4-ol
PubChem CID15717616
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-ethyl-2-methylnon-1-en-4-ol
SMILESC=C(C)C(CC)C(O)CCCCC
InChIInChI=1S/C12H24O/c1-5-7-8-9-12(13)11(6-2)10(3)4/h11-13H,3,5-9H2,1-2,4H3
InChIKeyWBXWNCHENXKDNX-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
Neoisopulegol
CID 6553885
2,6-Dimethyl-6-hepten-1-ol
CID 169818
(-)-Ipsenol
CID 93186
2-Methyl-6-methylene-7-octen-4-ol
CID 85712
Isopulegol, (+)-
CID 1268090
4,8-Dimethyl-7-nonen-2-ol
CID 162418
3,5,6,6-Tetramethyl-4-methyleneheptan-2-ol
CID 21909238
5,9-Dimethyl-8-decen-3-ol
CID 89186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylnon-1-en-4-ol?
The IUPAC name of 3-ethyl-2-methylnon-1-en-4-ol (CID 15717616) is 3-ethyl-2-methylnon-1-en-4-ol.
What is the SMILES notation for 3-ethyl-2-methylnon-1-en-4-ol?
The canonical SMILES for 3-ethyl-2-methylnon-1-en-4-ol is C=C(C)C(CC)C(O)CCCCC.
What is the InChIKey of 3-ethyl-2-methylnon-1-en-4-ol?
The InChIKey is WBXWNCHENXKDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-9-12(13)11(6-2)10(3)4/h11-13H,3,5-9H2,1-2,4H3.
What are the key properties of 3-ethyl-2-methylnon-1-en-4-ol?
3-ethyl-2-methylnon-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylnon-1-en-4-ol is sourced from PubChem (CID 15717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).