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

C14H18O — CID 101414495

IUPAC(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
SMILESC/C=C/C=C/C#C/C=C/C=C/CCCO
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/b3-2+,5-4+,9-8+,11-10+
InChIKeyDVVCIYWIFHPFME-BDPLZKCDSA-N
MW202.30 g/mol
LogP3.01
Rot. Bonds5

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

(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol (PubChem CID 101414495) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol.

Molecular Properties

Compound Name(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
PubChem CID101414495
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
SMILESC/C=C/C=C/C#C/C=C/C=C/CCCO
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/b3-2+,5-4+,9-8+,11-10+
InChIKeyDVVCIYWIFHPFME-BDPLZKCDSA-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'}

Analyze (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol with MolForge

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Related Compounds

(5E,7E,11E,13E)-pentadeca-5,7,11,13-tetraen-9-ynal
CID 15081392
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
2-[methyl(octa-4,6-dienyl)amino]ethanol
CID 87095726
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
trideca-2,4,6,8-tetraene
CID 54117998
(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
CID 71425389

Frequently Asked Questions

What is the IUPAC name of (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The IUPAC name of (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol (CID 101414495) is (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol.
What is the SMILES notation for (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The canonical SMILES for (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol is C/C=C/C=C/C#C/C=C/C=C/CCCO.
What is the InChIKey of (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
The InChIKey is DVVCIYWIFHPFME-BDPLZKCDSA-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/b3-2+,5-4+,9-8+,11-10+.
What are the key properties of (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol?
(4E,6E,10E,12E)-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 (4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol is sourced from PubChem (CID 101414495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).