(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol

C22H34O — CID 173206740

IUPAC(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
SMILESCCCCCCCCCCC=CC=CC=CC=CC=C/C=C/O
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h11-23H,2-10H2,1H3/b12-11?,14-13?,16-15?,18-17?,20-19?,22-21+
InChIKeyKKQBNQXZNTVMBZ-HPKHWFMCSA-N
MW314.51 g/mol
LogP7.37
Rot. Bonds14

About (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol

(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol (PubChem CID 173206740) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol.

Molecular Properties

Compound Name(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
PubChem CID173206740
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
SMILESCCCCCCCCCCC=CC=CC=CC=CC=C/C=C/O
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h11-23H,2-10H2,1H3/b12-11?,14-13?,16-15?,18-17?,20-19?,22-21+
InChIKeyKKQBNQXZNTVMBZ-HPKHWFMCSA-N
XLogP7.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 57.37
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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Related Compounds

(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
tetradeca-1,3-dien-1-ol
CID 73437176
(1E)-octa-1,3-dien-1-ol
CID 154003406
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(1E,3Z)-8-[(2R,3S)-3-octyloxiran-2-yl]octa-1,3-dien-1-ol
CID 175795531
8-(3-octyloxiran-2-yl)octa-1,3-dien-1-ol
CID 175142934

Frequently Asked Questions

What is the IUPAC name of (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol?
The IUPAC name of (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol (CID 173206740) is (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol.
What is the SMILES notation for (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol?
The canonical SMILES for (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol is CCCCCCCCCCC=CC=CC=CC=CC=C/C=C/O.
What is the InChIKey of (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol?
The InChIKey is KKQBNQXZNTVMBZ-HPKHWFMCSA-N. The full InChI is InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h11-23H,2-10H2,1H3/b12-11?,14-13?,16-15?,18-17?,20-19?,22-21+.
What are the key properties of (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol?
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol has a molecular weight of 314.51 g/mol, XLogP of 7.37, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-docosa-1,3,5,7,9,11-hexaen-1-ol is sourced from PubChem (CID 173206740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).