(1-ethoxy-2-methylprop-2-enyl)cyclohexane

C12H22O — CID 139654619

IUPAC(1-ethoxy-2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)C(OCC)C1CCCCC1
InChIInChI=1S/C12H22O/c1-4-13-12(10(2)3)11-8-6-5-7-9-11/h11-12H,2,4-9H2,1,3H3
InChIKeyXMQBNCJQEZXKCN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds4

About (1-ethoxy-2-methylprop-2-enyl)cyclohexane

(1-ethoxy-2-methylprop-2-enyl)cyclohexane (PubChem CID 139654619) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1-ethoxy-2-methylprop-2-enyl)cyclohexane.

Molecular Properties

Compound Name(1-ethoxy-2-methylprop-2-enyl)cyclohexane
PubChem CID139654619
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1-ethoxy-2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)C(OCC)C1CCCCC1
InChIInChI=1S/C12H22O/c1-4-13-12(10(2)3)11-8-6-5-7-9-11/h11-12H,2,4-9H2,1,3H3
InChIKeyXMQBNCJQEZXKCN-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
CID 116751188
1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
CID 116709413
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
ethyl 2-(2-cyclohexyl-2-ethoxyacetyl)pentanoate
CID 116775042
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965
1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-methylprop-2-enyl)cyclohexane?
The IUPAC name of (1-ethoxy-2-methylprop-2-enyl)cyclohexane (CID 139654619) is (1-ethoxy-2-methylprop-2-enyl)cyclohexane.
What is the SMILES notation for (1-ethoxy-2-methylprop-2-enyl)cyclohexane?
The canonical SMILES for (1-ethoxy-2-methylprop-2-enyl)cyclohexane is C=C(C)C(OCC)C1CCCCC1.
What is the InChIKey of (1-ethoxy-2-methylprop-2-enyl)cyclohexane?
The InChIKey is XMQBNCJQEZXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-13-12(10(2)3)11-8-6-5-7-9-11/h11-12H,2,4-9H2,1,3H3.
What are the key properties of (1-ethoxy-2-methylprop-2-enyl)cyclohexane?
(1-ethoxy-2-methylprop-2-enyl)cyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-methylprop-2-enyl)cyclohexane is sourced from PubChem (CID 139654619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).