henicos-7-en-6-ol

C21H42O — CID 91409967

IUPAChenicos-7-en-6-ol
SMILESCCCCCCCCCCCCCC=CC(O)CCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-21(22)19-17-6-4-2/h18,20-22H,3-17,19H2,1-2H3
InChIKeyYHVQBXLCZVYELA-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.18
Rot. Bonds17

About henicos-7-en-6-ol

henicos-7-en-6-ol (PubChem CID 91409967) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is henicos-7-en-6-ol.

Molecular Properties

Compound Namehenicos-7-en-6-ol
PubChem CID91409967
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Namehenicos-7-en-6-ol
SMILESCCCCCCCCCCCCCC=CC(O)CCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-21(22)19-17-6-4-2/h18,20-22H,3-17,19H2,1-2H3
InChIKeyYHVQBXLCZVYELA-UHFFFAOYSA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.18
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'}

Analyze henicos-7-en-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octacos-10-ene-1,12-diol
CID 86172609
(E)-octadec-6-ene-1,8-diol
CID 10265918
icosa-7,15-diene-6,9-diol
CID 57175111
undec-5-en-4-ol
CID 73071371
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(Z)-11-hydroxyoctadec-9-enoate
CID 171037416
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
octadec-3-en-5-ol
CID 144649733
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
methyl 9-hydroxyhexadec-7-enoate
CID 73069311

Frequently Asked Questions

What is the IUPAC name of henicos-7-en-6-ol?
The IUPAC name of henicos-7-en-6-ol (CID 91409967) is henicos-7-en-6-ol.
What is the SMILES notation for henicos-7-en-6-ol?
The canonical SMILES for henicos-7-en-6-ol is CCCCCCCCCCCCCC=CC(O)CCCCC.
What is the InChIKey of henicos-7-en-6-ol?
The InChIKey is YHVQBXLCZVYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-21(22)19-17-6-4-2/h18,20-22H,3-17,19H2,1-2H3.
What are the key properties of henicos-7-en-6-ol?
henicos-7-en-6-ol has a molecular weight of 310.57 g/mol, XLogP of 7.18, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-7-en-6-ol is sourced from PubChem (CID 91409967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).