(4R)-4-methoxy-4-methylcyclohex-2-en-1-one

C8H12O2 — CID 134968953

IUPAC(4R)-4-methoxy-4-methylcyclohex-2-en-1-one
SMILESCO[C@@]1(C)C=CC(=O)CC1
InChIInChI=1S/C8H12O2/c1-8(10-2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyVRSMJMVNIDCCMH-QMMMGPOBSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About (4R)-4-methoxy-4-methylcyclohex-2-en-1-one

(4R)-4-methoxy-4-methylcyclohex-2-en-1-one (PubChem CID 134968953) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R)-4-methoxy-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-methoxy-4-methylcyclohex-2-en-1-one
PubChem CID134968953
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R)-4-methoxy-4-methylcyclohex-2-en-1-one
SMILESCO[C@@]1(C)C=CC(=O)CC1
InChIInChI=1S/C8H12O2/c1-8(10-2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyVRSMJMVNIDCCMH-QMMMGPOBSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-4-methylcyclohex-2-en-1-one?
The IUPAC name of (4R)-4-methoxy-4-methylcyclohex-2-en-1-one (CID 134968953) is (4R)-4-methoxy-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-methoxy-4-methylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-methoxy-4-methylcyclohex-2-en-1-one is CO[C@@]1(C)C=CC(=O)CC1.
What is the InChIKey of (4R)-4-methoxy-4-methylcyclohex-2-en-1-one?
The InChIKey is VRSMJMVNIDCCMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(10-2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4R)-4-methoxy-4-methylcyclohex-2-en-1-one?
(4R)-4-methoxy-4-methylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 134968953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).