5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

C11H20O2 — CID 130122942

IUPAC5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCOC(C)(C)C1CC=C(C)C(O)C1
InChIInChI=1S/C11H20O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyZMHYGAMPKFHDHT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds2

About 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol (PubChem CID 130122942) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
PubChem CID130122942
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCOC(C)(C)C1CC=C(C)C(O)C1
InChIInChI=1S/C11H20O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyZMHYGAMPKFHDHT-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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

(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
2-[(1R,5S)-5-hydroperoxy-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate
CID 102374650
[5-(2-acetyloxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] acetate
CID 10083656
[(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (E)-4-methylhex-4-enoate
CID 137392245
[5-[2-(2-formyloxyacetyl)oxypropan-2-yl]-2-methylcyclohex-2-en-1-yl] 2-formyloxyacetate
CID 58319893
4-[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl]oxy-4-oxobutanoic acid
CID 70400205
(1R)-2-methyl-5-propan-2-ylidenecyclohex-2-en-1-ol
CID 102442221
(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90368969
(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol
CID 131133945
cis-(1R,2S)-2-(2-methoxypropan-2-yl)cyclopentan-1-ol
CID 10534953
2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
CID 140603206
(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
CID 139591588

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol?
The IUPAC name of 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol (CID 130122942) is 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol is COC(C)(C)C1CC=C(C)C(O)C1.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol?
The InChIKey is ZMHYGAMPKFHDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9-10,12H,6-7H2,1-4H3.
What are the key properties of 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol?
5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 130122942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).