1-cyclohexyl-1-propoxypropan-2-one

C12H22O2 — CID 83224965

IUPAC1-cyclohexyl-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h11-12H,3-9H2,1-2H3
InChIKeyWXNFNFDCEZWMID-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds5

About 1-cyclohexyl-1-propoxypropan-2-one

1-cyclohexyl-1-propoxypropan-2-one (PubChem CID 83224965) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclohexyl-1-propoxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-propoxypropan-2-one
PubChem CID83224965
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-cyclohexyl-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h11-12H,3-9H2,1-2H3
InChIKeyWXNFNFDCEZWMID-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-propoxyethylcyclopentane
CID 159612357
propyl 2-amino-2-cyclohexylacetate
CID 61016884
3-[cyclohexyl(propoxy)methoxy]-3-oxopropanoic acid
CID 170442783
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
CID 116751188
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
ethyl 2-(2-cyclohexyl-2-ethoxyacetyl)pentanoate
CID 116775042

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-propoxypropan-2-one?
The IUPAC name of 1-cyclohexyl-1-propoxypropan-2-one (CID 83224965) is 1-cyclohexyl-1-propoxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-propoxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-propoxypropan-2-one is CCCOC(C(C)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-propoxypropan-2-one?
The InChIKey is WXNFNFDCEZWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-propoxypropan-2-one?
1-cyclohexyl-1-propoxypropan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-propoxypropan-2-one is sourced from PubChem (CID 83224965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).