(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one

C11H18O2 — CID 93485985

IUPAC(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)[C@@H](C(C)C)CC1
InChIInChI=1S/C11H18O2/c1-4-13-9-5-6-10(8(2)3)11(12)7-9/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyLASOUINACJYUTE-SNVBAGLBSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one

(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one (PubChem CID 93485985) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
PubChem CID93485985
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)[C@@H](C(C)C)CC1
InChIInChI=1S/C11H18O2/c1-4-13-9-5-6-10(8(2)3)11(12)7-9/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyLASOUINACJYUTE-SNVBAGLBSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
6-benzyl-3-ethoxycyclohex-2-en-1-one
CID 12735113
6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one
CID 102280619
6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 12917225
(4aS,8aS)-3-ethoxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-one
CID 97303660
3-ethoxycyclohex-2-en-1-one;ethyl 4-ethoxy-2-oxocyclohex-3-ene-1-carboxylate
CID 159519277
3-ethoxy-5,6-dimethylcyclohex-2-en-1-one
CID 11095025
3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
CID 10420276
(7S,8R,9S,10R,13S,14S)-7-(difluoromethyl)-3-ethoxy-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 154097865
(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490
3-ethoxy-2H-thiopyran-5-one
CID 11194474
(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248

Frequently Asked Questions

What is the IUPAC name of (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one (CID 93485985) is (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one is CCOC1=CC(=O)[C@@H](C(C)C)CC1.
What is the InChIKey of (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is LASOUINACJYUTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-9-5-6-10(8(2)3)11(12)7-9/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one?
(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 93485985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).