4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol

C13H22O2 — CID 122493523

IUPAC4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol
SMILESCOC1C=CC(O)C(CC=C(C)C)C1C
InChIInChI=1S/C13H22O2/c1-9(2)5-6-11-10(3)13(15-4)8-7-12(11)14/h5,7-8,10-14H,6H2,1-4H3
InChIKeyKCHUADYZVBSUCK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds3

About 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol

4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol (PubChem CID 122493523) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol
PubChem CID122493523
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol
SMILESCOC1C=CC(O)C(CC=C(C)C)C1C
InChIInChI=1S/C13H22O2/c1-9(2)5-6-11-10(3)13(15-4)8-7-12(11)14/h5,7-8,10-14H,6H2,1-4H3
InChIKeyKCHUADYZVBSUCK-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] acetate
CID 121399560
6-methoxycyclohex-4-ene-1,2,3-triol
CID 85238693
(4S,5S,6S)-3-amino-2,4-dimethoxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
CID 170328442
2-methylcyclopent-4-ene-1,3-diol
CID 85423697
5,6-dimethylcyclohex-2-ene-1,4-diol
CID 58010997
4-methoxy-2,3-dimethyl-3,4-dihydro-2H-pyran
CID 147708709
5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-hydroxy-6-methylcyclohex-2-en-1-one
CID 122503859
1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
CID 130029378
[(1R,2R,3S,6R,7S,8S)-6-acetyloxy-11-methyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate;methane;(1R,2R,3S,6R,7S,8S)-11-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 161423709
4-[(E)-3-hydroperoxyprop-1-enyl]-6-methoxycyclohexa-2,4-dien-1-ol
CID 136664221
(1R,2R,3S,4R)-1-(iodomethyl)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexane-1,4-diol
CID 139735162
2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane
CID 23064937

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol (CID 122493523) is 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol is COC1C=CC(O)C(CC=C(C)C)C1C.
What is the InChIKey of 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The InChIKey is KCHUADYZVBSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)5-6-11-10(3)13(15-4)8-7-12(11)14/h5,7-8,10-14H,6H2,1-4H3.
What are the key properties of 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 122493523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).