3,3-dimethylhenicos-1-en-5-ol

C23H46O — CID 10860713

IUPAC3,3-dimethylhenicos-1-en-5-ol
SMILESC=CC(C)(C)CC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(3,4)6-2/h6,22,24H,2,5,7-21H2,1,3-4H3
InChIKeyNZWBVYCPUCEJQS-UHFFFAOYSA-N
MW338.62 g/mol
LogP7.82
Rot. Bonds18

About 3,3-dimethylhenicos-1-en-5-ol

3,3-dimethylhenicos-1-en-5-ol (PubChem CID 10860713) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is 3,3-dimethylhenicos-1-en-5-ol.

Molecular Properties

Compound Name3,3-dimethylhenicos-1-en-5-ol
PubChem CID10860713
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Name3,3-dimethylhenicos-1-en-5-ol
SMILESC=CC(C)(C)CC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(3,4)6-2/h6,22,24H,2,5,7-21H2,1,3-4H3
InChIKeyNZWBVYCPUCEJQS-UHFFFAOYSA-N
XLogP7.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 57.82
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 3,3-dimethylhenicos-1-en-5-ol?
The IUPAC name of 3,3-dimethylhenicos-1-en-5-ol (CID 10860713) is 3,3-dimethylhenicos-1-en-5-ol.
What is the SMILES notation for 3,3-dimethylhenicos-1-en-5-ol?
The canonical SMILES for 3,3-dimethylhenicos-1-en-5-ol is C=CC(C)(C)CC(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of 3,3-dimethylhenicos-1-en-5-ol?
The InChIKey is NZWBVYCPUCEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(3,4)6-2/h6,22,24H,2,5,7-21H2,1,3-4H3.
What are the key properties of 3,3-dimethylhenicos-1-en-5-ol?
3,3-dimethylhenicos-1-en-5-ol has a molecular weight of 338.62 g/mol, XLogP of 7.82, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhenicos-1-en-5-ol is sourced from PubChem (CID 10860713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).