3-methylundec-1-en-4-ol

C12H24O — CID 12794264

IUPAC3-methylundec-1-en-4-ol
SMILESC=CC(C)C(O)CCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyPHLQICBBXIGYQD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds8

About 3-methylundec-1-en-4-ol

3-methylundec-1-en-4-ol (PubChem CID 12794264) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methylundec-1-en-4-ol.

Molecular Properties

Compound Name3-methylundec-1-en-4-ol
PubChem CID12794264
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methylundec-1-en-4-ol
SMILESC=CC(C)C(O)CCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyPHLQICBBXIGYQD-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 3-methylundec-1-en-4-ol?
The IUPAC name of 3-methylundec-1-en-4-ol (CID 12794264) is 3-methylundec-1-en-4-ol.
What is the SMILES notation for 3-methylundec-1-en-4-ol?
The canonical SMILES for 3-methylundec-1-en-4-ol is C=CC(C)C(O)CCCCCCC.
What is the InChIKey of 3-methylundec-1-en-4-ol?
The InChIKey is PHLQICBBXIGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-9-10-12(13)11(3)5-2/h5,11-13H,2,4,6-10H2,1,3H3.
What are the key properties of 3-methylundec-1-en-4-ol?
3-methylundec-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylundec-1-en-4-ol is sourced from PubChem (CID 12794264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).