3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol

C20H34O — CID 162691534

IUPAC3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol
SMILESC#CC(C)(O)CCCC(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,11,13,19,21H,8-10,12,14-16H2,2-6H3
InChIKeyUVCXUFYGNOAJAV-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.65
Rot. Bonds10

About 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol

3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol (PubChem CID 162691534) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol
PubChem CID162691534
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol
SMILESC#CC(C)(O)CCCC(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,11,13,19,21H,8-10,12,14-16H2,2-6H3
InChIKeyUVCXUFYGNOAJAV-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
(4E,8E)-5,9,13,17-tetramethyloctadeca-4,8,16-trien-1-yne
CID 140820993
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
6,10-dimethylundec-9-en-1-yne
CID 175139097
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
CID 126609123
(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
(6E,14E,19Z,23S,26Z)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,14,19,26,30-pentaen-3-one
CID 172908729
(10E,14E,19E,23S,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-10,14,19,26,30-pentaen-3-one
CID 172908659

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol (CID 162691534) is 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol is C#CC(C)(O)CCCC(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol?
The InChIKey is UVCXUFYGNOAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,11,13,19,21H,8-10,12,14-16H2,2-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol?
3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol has a molecular weight of 290.49 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-10,14-dien-1-yn-3-ol is sourced from PubChem (CID 162691534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).