(E)-henicos-12-en-1-ol

C21H42O — CID 19702453

IUPAC(E)-henicos-12-en-1-ol
SMILESCCCCCCCC/C=C/CCCCCCCCCCCO
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h9-10,22H,2-8,11-21H2,1H3/b10-9+
InChIKeyBOZWLJUFTZGZKL-MDZDMXLPSA-N
MW310.57 g/mol
LogP7.19
Rot. Bonds18

About (E)-henicos-12-en-1-ol

(E)-henicos-12-en-1-ol (PubChem CID 19702453) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is (E)-henicos-12-en-1-ol.

Molecular Properties

Compound Name(E)-henicos-12-en-1-ol
PubChem CID19702453
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name(E)-henicos-12-en-1-ol
SMILESCCCCCCCC/C=C/CCCCCCCCCCCO
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h9-10,22H,2-8,11-21H2,1H3/b10-9+
InChIKeyBOZWLJUFTZGZKL-MDZDMXLPSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.19
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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Related Compounds

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
hexacos-17-en-1-ol
CID 139697197
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
azane;(Z)-octadec-9-en-1-ol
CID 166664850
ethanol;octadec-9-en-1-ol
CID 173109565

Frequently Asked Questions

What is the IUPAC name of (E)-henicos-12-en-1-ol?
The IUPAC name of (E)-henicos-12-en-1-ol (CID 19702453) is (E)-henicos-12-en-1-ol.
What is the SMILES notation for (E)-henicos-12-en-1-ol?
The canonical SMILES for (E)-henicos-12-en-1-ol is CCCCCCCC/C=C/CCCCCCCCCCCO.
What is the InChIKey of (E)-henicos-12-en-1-ol?
The InChIKey is BOZWLJUFTZGZKL-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h9-10,22H,2-8,11-21H2,1H3/b10-9+.
What are the key properties of (E)-henicos-12-en-1-ol?
(E)-henicos-12-en-1-ol has a molecular weight of 310.57 g/mol, XLogP of 7.19, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-henicos-12-en-1-ol is sourced from PubChem (CID 19702453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).