3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol

C20H32O — CID 20982009

IUPAC3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol
SMILESCCCCCCC=CC=CC=CC(C)=C(C)C(C)=C(C)O
InChIInChI=1S/C20H32O/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3)19(4)20(5)21/h11-16,21H,6-10H2,1-5H3
InChIKeyVNSOUMVJZFCVCM-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.81
Rot. Bonds9

About 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol

3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol (PubChem CID 20982009) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol.

Molecular Properties

Compound Name3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol
PubChem CID20982009
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol
SMILESCCCCCCC=CC=CC=CC(C)=C(C)C(C)=C(C)O
InChIInChI=1S/C20H32O/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3)19(4)20(5)21/h11-16,21H,6-10H2,1-5H3
InChIKeyVNSOUMVJZFCVCM-UHFFFAOYSA-N
XLogP6.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol?
The IUPAC name of 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol (CID 20982009) is 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol.
What is the SMILES notation for 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol?
The canonical SMILES for 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol is CCCCCCC=CC=CC=CC(C)=C(C)C(C)=C(C)O.
What is the InChIKey of 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol?
The InChIKey is VNSOUMVJZFCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3)19(4)20(5)21/h11-16,21H,6-10H2,1-5H3.
What are the key properties of 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol?
3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol has a molecular weight of 288.48 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylheptadeca-2,4,6,8,10-pentaen-2-ol is sourced from PubChem (CID 20982009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).