(E,10S)-henicos-7-en-10-ol

C21H42O — CID 14607531

IUPAC(E,10S)-henicos-7-en-10-ol
SMILESCCCCCC/C=C/C[C@@H](O)CCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h15,17,21-22H,3-14,16,18-20H2,1-2H3/b17-15+/t21-/m1/s1
InChIKeyMVLLDSWHNLOGFG-RLHAVTDZSA-N
MW310.57 g/mol
LogP7.18
Rot. Bonds17

About (E,10S)-henicos-7-en-10-ol

(E,10S)-henicos-7-en-10-ol (PubChem CID 14607531) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is (E,10S)-henicos-7-en-10-ol.

Molecular Properties

Compound Name(E,10S)-henicos-7-en-10-ol
PubChem CID14607531
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name(E,10S)-henicos-7-en-10-ol
SMILESCCCCCC/C=C/C[C@@H](O)CCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h15,17,21-22H,3-14,16,18-20H2,1-2H3/b17-15+/t21-/m1/s1
InChIKeyMVLLDSWHNLOGFG-RLHAVTDZSA-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'}

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Related Compounds

(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E)-heptadec-7-en-5-ol
CID 122442571
(Z)-tridec-8-en-6-ol
CID 170849340
(E)-12-hydroxyoctadec-9-enal
CID 87273358
octacos-21-en-10-ol
CID 163011476
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyhenicos-14-enoic acid
CID 169277303
12-hydroxyicos-14-enoic acid
CID 169277255
3-hydroxyhexadec-9-enal
CID 175100822

Frequently Asked Questions

What is the IUPAC name of (E,10S)-henicos-7-en-10-ol?
The IUPAC name of (E,10S)-henicos-7-en-10-ol (CID 14607531) is (E,10S)-henicos-7-en-10-ol.
What is the SMILES notation for (E,10S)-henicos-7-en-10-ol?
The canonical SMILES for (E,10S)-henicos-7-en-10-ol is CCCCCC/C=C/C[C@@H](O)CCCCCCCCCCC.
What is the InChIKey of (E,10S)-henicos-7-en-10-ol?
The InChIKey is MVLLDSWHNLOGFG-RLHAVTDZSA-N. The full InChI is InChI=1S/C21H42O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h15,17,21-22H,3-14,16,18-20H2,1-2H3/b17-15+/t21-/m1/s1.
What are the key properties of (E,10S)-henicos-7-en-10-ol?
(E,10S)-henicos-7-en-10-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 (E,10S)-henicos-7-en-10-ol is sourced from PubChem (CID 14607531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).