[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol

C18H28O2 — CID 132556361

IUPAC[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCC1OC1CO
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h3-4,6-7,9-10,12-13,17-19H,2,5,8,11,14-16H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKeyORVXNXIGPCLOID-LTKCOYKYSA-N
MW276.42 g/mol
LogP4.33
Rot. Bonds11

About [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol

[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol (PubChem CID 132556361) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol
PubChem CID132556361
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCC1OC1CO
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h3-4,6-7,9-10,12-13,17-19H,2,5,8,11,14-16H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKeyORVXNXIGPCLOID-LTKCOYKYSA-N
XLogP4.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol with MolForge

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Related Compounds

Selachyl alcohol
CID 5282282
Noladin Ether
CID 6483057
Diglycerol, monoether with 9-octadecen-1-ol
CID 6437995
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propane-1,2-diol
CID 44243138
2-O-(9-Octadecenyl)glycerol
CID 10783536
1-O-(9Z-octadecenyl)-sn-glycerol
CID 53242580
2-[((Z)-Docos-13-enyl)oxy]-propane-1,3-diol
CID 44360582
2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol
CID 44360595
3-[(E)-octadec-9-enoxy]propane-1,2-diol
CID 5351510
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994

Frequently Asked Questions

What is the IUPAC name of [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol?
The IUPAC name of [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol (CID 132556361) is [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol.
What is the SMILES notation for [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol?
The canonical SMILES for [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol is CC/C=C\C/C=C\C/C=C\C/C=C\CCC1OC1CO.
What is the InChIKey of [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol?
The InChIKey is ORVXNXIGPCLOID-LTKCOYKYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-19)20-17/h3-4,6-7,9-10,12-13,17-19H,2,5,8,11,14-16H2,1H3/b4-3-,7-6-,10-9-,13-12-.
What are the key properties of [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol?
[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol is sourced from PubChem (CID 132556361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).