4-methylnon-1-en-4-ol

C10H20O — CID 12504822

IUPAC4-methylnon-1-en-4-ol
SMILESC=CCC(C)(O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-9-10(3,11)8-5-2/h5,11H,2,4,6-9H2,1,3H3
InChIKeyOQNKQWNDMBCKNI-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds6

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

4-methylnon-1-en-4-ol (PubChem CID 12504822) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methylnon-1-en-4-ol.

Molecular Properties

Compound Name4-methylnon-1-en-4-ol
PubChem CID12504822
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methylnon-1-en-4-ol
SMILESC=CCC(C)(O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-9-10(3,11)8-5-2/h5,11H,2,4,6-9H2,1,3H3
InChIKeyOQNKQWNDMBCKNI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-en-4-ol?
The IUPAC name of 4-methylnon-1-en-4-ol (CID 12504822) is 4-methylnon-1-en-4-ol.
What is the SMILES notation for 4-methylnon-1-en-4-ol?
The canonical SMILES for 4-methylnon-1-en-4-ol is C=CCC(C)(O)CCCCC.
What is the InChIKey of 4-methylnon-1-en-4-ol?
The InChIKey is OQNKQWNDMBCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-9-10(3,11)8-5-2/h5,11H,2,4,6-9H2,1,3H3.
What are the key properties of 4-methylnon-1-en-4-ol?
4-methylnon-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-en-4-ol is sourced from PubChem (CID 12504822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).