(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol

C14H22O — CID 11830599

IUPAC(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol
SMILESCC(C)=CCC/C(C)=C/CCC#CCO
InChIInChI=1S/C14H22O/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15/h9-10,15H,4,6,8,11-12H2,1-3H3/b14-10+
InChIKeySVNPXCFLXBYXIJ-GXDHUFHOSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds5

About (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol

(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol (PubChem CID 11830599) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol.

Molecular Properties

Compound Name(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol
PubChem CID11830599
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol
SMILESCC(C)=CCC/C(C)=C/CCC#CCO
InChIInChI=1S/C14H22O/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15/h9-10,15H,4,6,8,11-12H2,1-3H3/b14-10+
InChIKeySVNPXCFLXBYXIJ-GXDHUFHOSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
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

(9E)-10,14-dimethylpentadeca-9,13-dien-5-yn-2-one
CID 10060501
trimethyl(6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl)silane
CID 73095183
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
8-methylnon-7-en-2-yn-1-ol
CID 130127240
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831

Frequently Asked Questions

What is the IUPAC name of (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol?
The IUPAC name of (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol (CID 11830599) is (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol.
What is the SMILES notation for (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol?
The canonical SMILES for (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol is CC(C)=CCC/C(C)=C/CCC#CCO.
What is the InChIKey of (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol?
The InChIKey is SVNPXCFLXBYXIJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15/h9-10,15H,4,6,8,11-12H2,1-3H3/b14-10+.
What are the key properties of (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol?
(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol is sourced from PubChem (CID 11830599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).