1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one

C12H20O3 — CID 57111795

IUPAC1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCC(=O)C1(C2CCCCC2)OCCO1
InChIInChI=1S/C12H20O3/c1-2-11(13)12(14-8-9-15-12)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHHNSDBPZWNJHPR-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one

1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one (PubChem CID 57111795) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
PubChem CID57111795
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCC(=O)C1(C2CCCCC2)OCCO1
InChIInChI=1S/C12H20O3/c1-2-11(13)12(14-8-9-15-12)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHHNSDBPZWNJHPR-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{1,4-Dioxaspiro[4.5]decan-6-yl}ethanone
CID 10103861
(2S,5S)-2-tert-butyl-5-(cyclohexylmethyl)-1,3-dioxolan-4-one
CID 101336634
2-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 10774339
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
7-But-2-ynyl-1,4-dioxaspiro[4.5]decan-8-one
CID 86062897
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 11183218
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445
cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 102107681
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
CID 134890954

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one (CID 57111795) is 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one is CCC(=O)C1(C2CCCCC2)OCCO1.
What is the InChIKey of 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one?
The InChIKey is HHNSDBPZWNJHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-11(13)12(14-8-9-15-12)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one?
1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-dioxolan-2-yl)propan-1-one is sourced from PubChem (CID 57111795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).