6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol

C33H56O — CID 54034221

IUPAC6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC(CC=C(C)CCC=C(C)CCC=C(C)C)CCO
InChIInChI=1S/C33H56O/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-33(25-26-34)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22,33-34H,9-12,15-16,19-20,23-26H2,1-8H3
InChIKeyLHTLQUDOTGHACD-UHFFFAOYSA-N
MW468.81 g/mol
LogP10.60
Rot. Bonds18

About 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol

6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol (PubChem CID 54034221) has the molecular formula C33H56O and a molecular weight of 468.81 g/mol. Its IUPAC name is 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol.

Molecular Properties

Compound Name6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
PubChem CID54034221
Molecular FormulaC33H56O
Molecular Weight468.81 g/mol
Exact Mass468.43
IUPAC Name6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC(CC=C(C)CCC=C(C)CCC=C(C)C)CCO
InChIInChI=1S/C33H56O/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-33(25-26-34)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22,33-34H,9-12,15-16,19-20,23-26H2,1-8H3
InChIKeyLHTLQUDOTGHACD-UHFFFAOYSA-N
XLogP10.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol with MolForge

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Related Compounds

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
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053

Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol?
The IUPAC name of 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol (CID 54034221) is 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol.
What is the SMILES notation for 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol?
The canonical SMILES for 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCC(CC=C(C)CCC=C(C)CCC=C(C)C)CCO.
What is the InChIKey of 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol?
The InChIKey is LHTLQUDOTGHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-33(25-26-34)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22,33-34H,9-12,15-16,19-20,23-26H2,1-8H3.
What are the key properties of 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol?
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol has a molecular weight of 468.81 g/mol, XLogP of 10.60, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol is sourced from PubChem (CID 54034221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).