(3R)-3-methoxycyclohexan-1-one

C7H12O2 — CID 86312357

IUPAC(3R)-3-methoxycyclohexan-1-one
SMILESCO[C@@H]1CCCC(=O)C1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVYUKCVLHGXBZDF-SSDOTTSWSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds1

About (3R)-3-methoxycyclohexan-1-one

(3R)-3-methoxycyclohexan-1-one (PubChem CID 86312357) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3R)-3-methoxycyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-methoxycyclohexan-1-one
PubChem CID86312357
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3R)-3-methoxycyclohexan-1-one
SMILESCO[C@@H]1CCCC(=O)C1
InChIInChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVYUKCVLHGXBZDF-SSDOTTSWSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxycyclohexan-1-one
CID 534824
4-Methoxycyclohexanone
CID 535028
3-Hydroxycyclohexanone
CID 439950
(S)-3-hydroxycyclohexanone
CID 643111
3-Oxocyclohexyl acetate
CID 13792428
3-(Difluoromethoxy)cyclohexan-1-one
CID 146082564
4,4-Difluoro-3-methoxycyclohexan-1-one
CID 170900282
3-Hydroperoxycyclohexanone
CID 14940323
3-Propoxycyclohexan-1-one
CID 21859248
(R)-3-hydroxycyclohexane-1-one
CID 86310118
5-(Fluoromethoxy)cyclohexane-1,3-dione
CID 145831908
3,5-Dimethoxycyclohexan-1-one
CID 547254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxycyclohexan-1-one?
The IUPAC name of (3R)-3-methoxycyclohexan-1-one (CID 86312357) is (3R)-3-methoxycyclohexan-1-one.
What is the SMILES notation for (3R)-3-methoxycyclohexan-1-one?
The canonical SMILES for (3R)-3-methoxycyclohexan-1-one is CO[C@@H]1CCCC(=O)C1.
What is the InChIKey of (3R)-3-methoxycyclohexan-1-one?
The InChIKey is VYUKCVLHGXBZDF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O2/c1-9-7-4-2-3-6(8)5-7/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-methoxycyclohexan-1-one?
(3R)-3-methoxycyclohexan-1-one has a molecular weight of 128.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxycyclohexan-1-one is sourced from PubChem (CID 86312357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).