(2R)-2-propoxycyclohexan-1-one

C9H16O2 — CID 130629203

IUPAC(2R)-2-propoxycyclohexan-1-one
SMILESCCCO[C@@H]1CCCCC1=O
InChIInChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyLBYXICCBVQDSRF-SECBINFHSA-N
MW156.22 g/mol
LogP1.92
Rot. Bonds3

About (2R)-2-propoxycyclohexan-1-one

(2R)-2-propoxycyclohexan-1-one (PubChem CID 130629203) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R)-2-propoxycyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-propoxycyclohexan-1-one
PubChem CID130629203
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R)-2-propoxycyclohexan-1-one
SMILESCCCO[C@@H]1CCCCC1=O
InChIInChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyLBYXICCBVQDSRF-SECBINFHSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2-oxocyclohexyl) sulfate
CID 13331543
2-[(4-methoxyphenyl)methoxy]cyclohexan-1-one
CID 11149013
2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
CID 54990280
2-but-2-ynoxycyclopentan-1-one
CID 46901141
azanylidyneoxidanium;(2-oxocyclohexyl) sulfate
CID 10933076
2-[(2-fluorophenyl)methoxy]cyclohexan-1-one
CID 13476787
propoxycyclooctane
CID 54078990
cis-(2R,3R)-2-bromo-3-ethylcycloheptan-1-one
CID 71422025
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
2-(4-methylphenoxy)cyclohexan-1-one
CID 10965621
(2R)-2-pentylcyclohexan-1-one
CID 86310435
(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate
CID 175016133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propoxycyclohexan-1-one?
The IUPAC name of (2R)-2-propoxycyclohexan-1-one (CID 130629203) is (2R)-2-propoxycyclohexan-1-one.
What is the SMILES notation for (2R)-2-propoxycyclohexan-1-one?
The canonical SMILES for (2R)-2-propoxycyclohexan-1-one is CCCO[C@@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-propoxycyclohexan-1-one?
The InChIKey is LBYXICCBVQDSRF-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-propoxycyclohexan-1-one?
(2R)-2-propoxycyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propoxycyclohexan-1-one is sourced from PubChem (CID 130629203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).