2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol

C24H40O3 — CID 118664410

IUPAC2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol
SMILESCOC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1
InChIInChI=1S/C24H40O3/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-21-20(5)16-22(26-6)24(27-7)23(21)25/h10,12,14,20-21,23,25H,8-9,11,13,15-16H2,1-7H3
InChIKeyQDEQXVWSLJMHQK-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.32
Rot. Bonds10

About 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol

2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol (PubChem CID 118664410) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol
PubChem CID118664410
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol
SMILESCOC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1
InChIInChI=1S/C24H40O3/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-21-20(5)16-22(26-6)24(27-7)23(21)25/h10,12,14,20-21,23,25H,8-9,11,13,15-16H2,1-7H3
InChIKeyQDEQXVWSLJMHQK-UHFFFAOYSA-N
XLogP6.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol (CID 118664410) is 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol is COC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol?
The InChIKey is QDEQXVWSLJMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-21-20(5)16-22(26-6)24(27-7)23(21)25/h10,12,14,20-21,23,25H,8-9,11,13,15-16H2,1-7H3.
What are the key properties of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol?
2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol has a molecular weight of 376.58 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 118664410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).