(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol

C14H18O — CID 162956999

IUPAC(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol
SMILESC/C=C/C#CC#C/C=C/CC[C@@H](O)CC
InChIInChI=1S/C14H18O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3,5,10-11,14-15H,4,12-13H2,1-2H3/b5-3+,11-10+/t14-/m0/s1
InChIKeyYVEIHDLHFDAKNB-RIUGAHHNSA-N
MW202.30 g/mol
LogP2.68
Rot. Bonds4

About (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol

(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol (PubChem CID 162956999) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol.

Molecular Properties

Compound Name(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol
PubChem CID162956999
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol
SMILESC/C=C/C#CC#C/C=C/CC[C@@H](O)CC
InChIInChI=1S/C14H18O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3,5,10-11,14-15H,4,12-13H2,1-2H3/b5-3+,11-10+/t14-/m0/s1
InChIKeyYVEIHDLHFDAKNB-RIUGAHHNSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Nonen-1-ol, (6Z)-
CID 5362792
6-Methyl-5-hepten-2-ol
CID 20745
5-Decen-1-ol, (5E)-
CID 5283292
2-Octen-4-ol, (2E)-
CID 5366203
3-Nonen-1-ol, (3E)-
CID 5352807
3-Nonen-1-ol, (3Z)-
CID 5364631
5-Octen-1-ol, (5Z)-
CID 5352837
6-Nonen-1-ol, (6E)-
CID 5362811
4-Decenol, (4Z)-
CID 5362798
Undeca-1,5-dien-3-ol
CID 53981988
5-Decen-1-ol, (5Z)-
CID 5365622
5,10-Pentadecadien-1-ol
CID 6536885

Frequently Asked Questions

What is the IUPAC name of (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol?
The IUPAC name of (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol (CID 162956999) is (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol.
What is the SMILES notation for (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol?
The canonical SMILES for (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol is C/C=C/C#CC#C/C=C/CC[C@@H](O)CC.
What is the InChIKey of (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol?
The InChIKey is YVEIHDLHFDAKNB-RIUGAHHNSA-N. The full InChI is InChI=1S/C14H18O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3,5,10-11,14-15H,4,12-13H2,1-2H3/b5-3+,11-10+/t14-/m0/s1.
What are the key properties of (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol?
(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol has a molecular weight of 202.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol is sourced from PubChem (CID 162956999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).