2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol

C18H30O2 — CID 12009845

IUPAC2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
SMILESCC(C)=CCCC(C)(O)C#CC(C)(O)CCC=C(C)C
InChIInChI=1S/C18H30O2/c1-15(2)9-7-11-17(5,19)13-14-18(6,20)12-8-10-16(3)4/h9-10,19-20H,7-8,11-12H2,1-6H3
InChIKeyXJWHGCSJKIWNSO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.98
Rot. Bonds6

About 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol

2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol (PubChem CID 12009845) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol.

Molecular Properties

Compound Name2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
PubChem CID12009845
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
SMILESCC(C)=CCCC(C)(O)C#CC(C)(O)CCC=C(C)C
InChIInChI=1S/C18H30O2/c1-15(2)9-7-11-17(5,19)13-14-18(6,20)12-8-10-16(3)4/h9-10,19-20H,7-8,11-12H2,1-6H3
InChIKeyXJWHGCSJKIWNSO-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 165353227
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CID 54543374
(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
CID 21427355
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CID 139888264
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
CID 10991240
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
CID 89309961
(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625

Frequently Asked Questions

What is the IUPAC name of 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol?
The IUPAC name of 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol (CID 12009845) is 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol.
What is the SMILES notation for 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol?
The canonical SMILES for 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol is CC(C)=CCCC(C)(O)C#CC(C)(O)CCC=C(C)C.
What is the InChIKey of 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol?
The InChIKey is XJWHGCSJKIWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-15(2)9-7-11-17(5,19)13-14-18(6,20)12-8-10-16(3)4/h9-10,19-20H,7-8,11-12H2,1-6H3.
What are the key properties of 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol?
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol has a molecular weight of 278.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol is sourced from PubChem (CID 12009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).