1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol

C11H20O2 — CID 165492132

IUPAC1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol
SMILESCCOCC1(O)C=CC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-4-13-9-11(12)7-5-10(2,3)6-8-11/h5,7,12H,4,6,8-9H2,1-3H3
InChIKeySGVVALQLUGMKCY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol

1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol (PubChem CID 165492132) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol
PubChem CID165492132
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol
SMILESCCOCC1(O)C=CC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-4-13-9-11(12)7-5-10(2,3)6-8-11/h5,7,12H,4,6,8-9H2,1-3H3
InChIKeySGVVALQLUGMKCY-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
ethyl 1,4,4-trimethylcyclohex-2-ene-1-carboxylate
CID 121001949
2-(ethoxymethyl)oxiran-2-ol
CID 58975653
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
1-(ethoxymethyl)cyclobutane-1-carboxylic acid
CID 97033935
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 145208998
3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
CID 130988152
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
CID 79567400
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol (CID 165492132) is 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol is CCOCC1(O)C=CC(C)(C)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol?
The InChIKey is SGVVALQLUGMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-9-11(12)7-5-10(2,3)6-8-11/h5,7,12H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol?
1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 165492132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).