4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol

C11H20O2 — CID 20767224

IUPAC4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol
SMILESCOC(C)(C)C1C=CC(C)(O)CC1
InChIInChI=1S/C11H20O2/c1-10(2,13-4)9-5-7-11(3,12)8-6-9/h5,7,9,12H,6,8H2,1-4H3
InChIKeyKKVQQTRCMASOFD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol

4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol (PubChem CID 20767224) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol
PubChem CID20767224
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol
SMILESCOC(C)(C)C1C=CC(C)(O)CC1
InChIInChI=1S/C11H20O2/c1-10(2,13-4)9-5-7-11(3,12)8-6-9/h5,7,9,12H,6,8H2,1-4H3
InChIKeyKKVQQTRCMASOFD-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'}

Analyze 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol?
The IUPAC name of 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol (CID 20767224) is 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol is COC(C)(C)C1C=CC(C)(O)CC1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol?
The InChIKey is KKVQQTRCMASOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,13-4)9-5-7-11(3,12)8-6-9/h5,7,9,12H,6,8H2,1-4H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol?
4-(2-methoxypropan-2-yl)-1-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 4-(2-methoxypropan-2-yl)-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 20767224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).