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

C24H42O3 — CID 150388184

IUPAC2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol
SMILESCOC1CC(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C1OC
InChIInChI=1S/C24H42O3/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/h10,12,14,20-25H,8-9,11,13,15-16H2,1-7H3
InChIKeyHBDLSXORPLJBDN-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.84
Rot. Bonds10

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

2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol (PubChem CID 150388184) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol
PubChem CID150388184
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol
SMILESCOC1CC(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C1OC
InChIInChI=1S/C24H42O3/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/h10,12,14,20-25H,8-9,11,13,15-16H2,1-7H3
InChIKeyHBDLSXORPLJBDN-UHFFFAOYSA-N
XLogP5.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S,6R)-4-[(2E)-hexa-2,5-dien-2-yl]-5-methoxy-1-oxaspiro[2.5]octan-6-ol
CID 11031941
(1R,2S,3S,4R)-2-[(2E)-hexa-2,5-dien-2-yl]-1-(hydroxymethyl)-3-methoxycyclohexane-1,4-diol
CID 15344389
(1S,5S,8S,9R,12R,15R)-4,8,15,16,16-pentamethyl-11-oxatricyclo[10.3.1.05,15]hexadec-3-ene-9,13,14,14-tetrol
CID 91419688
(3R,4S,5S,6R,7R)-5-methoxy-7-methyl-4-[(E)-6-methylhept-2-en-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 9900422
(1R,2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-[(E)-6-methylhept-2-en-2-yl]cyclohexan-1-ol
CID 11303667
5-methoxy-6-methyl-4-[(E)-6-methylhept-2-en-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 22661159
(3R,4S,5S,6R,7S)-5-methoxy-7-methyl-4-[(E)-6-methylhept-2-en-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 23523010
(3R,4S,5S,6R,8R)-5-methoxy-8-methyl-4-[(E)-6-methylhept-2-en-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 23523014
(3R,4S,5S,6R,7R)-5-methoxy-7-methyl-4-[(E)-6-methylhept-2-en-2-yl]-6-tritiooxy-1-oxaspiro[2.5]octane
CID 59080631
1-(4,5-Dimethoxy-2-methylcyclohexyl)-3,7,11,15-tetramethylhexadec-6-en-3-ol
CID 67468434
1-(4,5-Dimethoxy-2-methylcyclohexyl)-3,7,11-trimethyldodec-6-en-3-ol
CID 69676403
(3R,4S,5S,6R)-5-methoxy-6-methyl-4-(6-methylhept-2-en-2-yl)-1-oxaspiro[2.5]octan-6-ol
CID 88055836

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol (CID 150388184) is 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol is COC1CC(C)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C1OC.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol?
The InChIKey is HBDLSXORPLJBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/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/h10,12,14,20-25H,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)cyclohexan-1-ol?
2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexan-1-ol has a molecular weight of 378.60 g/mol, XLogP of 5.84, 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)cyclohexan-1-ol is sourced from PubChem (CID 150388184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).