(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol

C14H14O — CID 14194106

IUPAC(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
SMILESCC#CC#CC#C/C=C/C=C/CCCO
InChIInChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3/b9-8+,11-10+
InChIKeyWWKACWAQDXLZAV-BNFZFUHLSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol

(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol (PubChem CID 14194106) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol.

Molecular Properties

Compound Name(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
PubChem CID14194106
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
SMILESCC#CC#CC#C/C=C/C=C/CCCO
InChIInChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3/b9-8+,11-10+
InChIKeyWWKACWAQDXLZAV-BNFZFUHLSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
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

(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 101414495
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
(E)-tridec-4-en-7,9,11-triyn-1-ol
CID 101412524
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
dodeca-2,4-dien-6,8,10-triyne
CID 163085735
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
tetradec-6-en-8,10,12-triyne-1,5-diol
CID 162890629
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
heptadeca-8,10-dien-4,6-diyne-1,14-diol
CID 74932187
(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
CID 71425389
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
CID 141351102

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The IUPAC name of (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol (CID 14194106) is (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol.
What is the SMILES notation for (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The canonical SMILES for (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol is CC#CC#CC#C/C=C/C=C/CCCO.
What is the InChIKey of (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The InChIKey is WWKACWAQDXLZAV-BNFZFUHLSA-N. The full InChI is InChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3/b9-8+,11-10+.
What are the key properties of (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol?
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol is sourced from PubChem (CID 14194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).