(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol

C14H16O — CID 14412218

IUPAC(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
SMILESC/C=C/C#CC#C/C=C/C=C/CCCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3/b3-2+,9-8+,11-10+
InChIKeyGSSKPCSIHXCRCA-MMOYHAHMSA-N
MW200.28 g/mol
LogP2.45
Rot. Bonds4

About (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol

(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol (PubChem CID 14412218) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol.

Molecular Properties

Compound Name(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
PubChem CID14412218
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
SMILESC/C=C/C#CC#C/C=C/C=C/CCCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3/b3-2+,9-8+,11-10+
InChIKeyGSSKPCSIHXCRCA-MMOYHAHMSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Octen-1-ol, (4Z)-
CID 5352836
(2Z,8E,10E)-Pentadecatriene-4,6-diyn-1-ol
CID 44613551
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
CID 131752390
(8E,10E)-heptadeca-8,10-dien-4,6-diyn-1-ol
CID 44359770
5,7-Dodecadien-1-ol
CID 5283274
(5E,7Z)-dodeca-5,7-dien-1-ol
CID 5365647
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097
(E)-non-4-en-1-ol
CID 10855571
Nonadien-1-ol
CID 112657
(4Z,7E)-deca-4,7-dien-1-ol
CID 131753014
3,6,8-Dodecatrien-1-ol
CID 5283307

Frequently Asked Questions

What is the IUPAC name of (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol?
The IUPAC name of (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol (CID 14412218) is (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol.
What is the SMILES notation for (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol?
The canonical SMILES for (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol is C/C=C/C#CC#C/C=C/C=C/CCCO.
What is the InChIKey of (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol?
The InChIKey is GSSKPCSIHXCRCA-MMOYHAHMSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3/b3-2+,9-8+,11-10+.
What are the key properties of (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol?
(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol is sourced from PubChem (CID 14412218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).