tetradeca-4,6,10,12-tetraen-8-yn-1-ol

C14H18O — CID 86103370

IUPACtetradeca-4,6,10,12-tetraen-8-yn-1-ol
SMILESCC=CC=CC#CC=CC=CCCCO
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-5,8-11,15H,12-14H2,1H3
InChIKeyDVVCIYWIFHPFME-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.01
Rot. Bonds5

About tetradeca-4,6,10,12-tetraen-8-yn-1-ol

tetradeca-4,6,10,12-tetraen-8-yn-1-ol (PubChem CID 86103370) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is tetradeca-4,6,10,12-tetraen-8-yn-1-ol.

Molecular Properties

Compound Nametetradeca-4,6,10,12-tetraen-8-yn-1-ol
PubChem CID86103370
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Nametetradeca-4,6,10,12-tetraen-8-yn-1-ol
SMILESCC=CC=CC#CC=CC=CCCCO
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-5,8-11,15H,12-14H2,1H3
InChIKeyDVVCIYWIFHPFME-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.01
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 tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The IUPAC name of tetradeca-4,6,10,12-tetraen-8-yn-1-ol (CID 86103370) is tetradeca-4,6,10,12-tetraen-8-yn-1-ol.
What is the SMILES notation for tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The canonical SMILES for tetradeca-4,6,10,12-tetraen-8-yn-1-ol is CC=CC=CC#CC=CC=CCCCO.
What is the InChIKey of tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The InChIKey is DVVCIYWIFHPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-5,8-11,15H,12-14H2,1H3.
What are the key properties of tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
tetradeca-4,6,10,12-tetraen-8-yn-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-4,6,10,12-tetraen-8-yn-1-ol is sourced from PubChem (CID 86103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).