(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol

C14H20O — CID 162927783

IUPAC(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol
SMILESC=CCCCC[C@@H](O)/C=C/C#C/C=C/C
InChIInChI=1S/C14H20O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-5,11,13-15H,2,6,8,10,12H2,1H3/b5-3+,13-11+/t14-/m1/s1
InChIKeyFDFGZMGALLFLNJ-DJHBACGWSA-N
MW204.31 g/mol
LogP3.23
Rot. Bonds6

About (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol

(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol (PubChem CID 162927783) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol.

Molecular Properties

Compound Name(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol
PubChem CID162927783
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol
SMILESC=CCCCC[C@@H](O)/C=C/C#C/C=C/C
InChIInChI=1S/C14H20O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-5,11,13-15H,2,6,8,10,12H2,1H3/b5-3+,13-11+/t14-/m1/s1
InChIKeyFDFGZMGALLFLNJ-DJHBACGWSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-Ol
CID 18827
2-Octen-4-ol, (2E)-
CID 5366203
Oenanthotoxin
CID 44138996
(R)-oct-1-en-3-ol
CID 6992244
Bupleurotoxin
CID 44613554
(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Dendroarboreol B
CID 5469788
Virol C
CID 11108150
(S)-1-Octen-3-ol
CID 2724898
Ginsenoyne K
CID 15736266
Ginsenoyne J
CID 131752800
Virol B
CID 10753985

Frequently Asked Questions

What is the IUPAC name of (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol?
The IUPAC name of (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol (CID 162927783) is (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol.
What is the SMILES notation for (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol?
The canonical SMILES for (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol is C=CCCCC[C@@H](O)/C=C/C#C/C=C/C.
What is the InChIKey of (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol?
The InChIKey is FDFGZMGALLFLNJ-DJHBACGWSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-5,11,13-15H,2,6,8,10,12H2,1H3/b5-3+,13-11+/t14-/m1/s1.
What are the key properties of (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol?
(7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol has a molecular weight of 204.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8E,12E)-tetradeca-1,8,12-trien-10-yn-7-ol is sourced from PubChem (CID 162927783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).