3-methylnon-1-en-4-ol

C10H20O — CID 3742826

IUPAC3-methylnon-1-en-4-ol
SMILESC=CC(C)C(O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3
InChIKeyXSWXPRDMNKCTMJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds6

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

3-methylnon-1-en-4-ol (PubChem CID 3742826) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-methylnon-1-en-4-ol.

Molecular Properties

Compound Name3-methylnon-1-en-4-ol
PubChem CID3742826
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-methylnon-1-en-4-ol
SMILESC=CC(C)C(O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3
InChIKeyXSWXPRDMNKCTMJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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

2-Methyl-6-methylene-7-octen-4-ol
CID 85712
(-)-Ipsenol
CID 93186
alpha-Ethyl-3-cyclooctene-1-methanol
CID 66934567
1-Nonen-4-ol
CID 141975
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
6-Hepten-1-ol, 2-methyl-
CID 565262
4-Ethyloct-1-en-3-ol
CID 93920
5-Methyl-1-hepten-4-ol
CID 145341
1-Dodecen-4-ol
CID 11745312
7-Methyl-3-methylene-1-octanol
CID 22764431
(S)-1-Undecen-4-ol
CID 11378750
3-Methyloct-7-en-2-ol
CID 10351801

Frequently Asked Questions

What is the IUPAC name of 3-methylnon-1-en-4-ol?
The IUPAC name of 3-methylnon-1-en-4-ol (CID 3742826) is 3-methylnon-1-en-4-ol.
What is the SMILES notation for 3-methylnon-1-en-4-ol?
The canonical SMILES for 3-methylnon-1-en-4-ol is C=CC(C)C(O)CCCCC.
What is the InChIKey of 3-methylnon-1-en-4-ol?
The InChIKey is XSWXPRDMNKCTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3.
What are the key properties of 3-methylnon-1-en-4-ol?
3-methylnon-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnon-1-en-4-ol is sourced from PubChem (CID 3742826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).