(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol

C20H36O — CID 122388579

IUPAC(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
SMILESCC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,13,15,18,21H,6-8,10-12,14,16H2,1-5H3/b19-13+,20-15+/t18-/m1/s1
InChIKeyMRGRKBSPIBREBY-DXPCXQIRSA-N
MW292.51 g/mol
LogP6.20
Rot. Bonds11

About (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol

(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol (PubChem CID 122388579) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol.

Molecular Properties

Compound Name(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
PubChem CID122388579
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
SMILESCC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,13,15,18,21H,6-8,10-12,14,16H2,1-5H3/b19-13+,20-15+/t18-/m1/s1
InChIKeyMRGRKBSPIBREBY-DXPCXQIRSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol with MolForge

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Related Compounds

3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
(4E,8E)-5,9,13,17-tetramethyloctadeca-4,8,16-trien-1-yne
CID 140820993
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
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
(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
methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 162032008
(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
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
CID 160640482
CID 160640482

Frequently Asked Questions

What is the IUPAC name of (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol?
The IUPAC name of (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol (CID 122388579) is (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol.
What is the SMILES notation for (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol?
The canonical SMILES for (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol is CC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol?
The InChIKey is MRGRKBSPIBREBY-DXPCXQIRSA-N. The full InChI is InChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,13,15,18,21H,6-8,10-12,14,16H2,1-5H3/b19-13+,20-15+/t18-/m1/s1.
What are the key properties of (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol?
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol has a molecular weight of 292.51 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol is sourced from PubChem (CID 122388579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).