4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one

C13H20O3 — CID 177096003

IUPAC4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCC(C)Cc1oc(=O)oc1C1CCCCC1
InChIInChI=1S/C13H20O3/c1-9(2)8-11-12(16-13(14)15-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyGIBWEZJTYJHEQC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.48
Rot. Bonds3

About 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one

4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one (PubChem CID 177096003) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one
PubChem CID177096003
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCC(C)Cc1oc(=O)oc1C1CCCCC1
InChIInChI=1S/C13H20O3/c1-9(2)8-11-12(16-13(14)15-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyGIBWEZJTYJHEQC-UHFFFAOYSA-N
XLogP3.48
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 57435408
4,5-dicyclohexyl-3H-1,3-oxazol-2-one
CID 140997731
4-amino-5-cyclopentyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
CID 113390067
4-cyclohexyl-3-(2-methylpropyl)phthalic acid
CID 69475317
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 61337747
5,6-bis(2-methylpropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151356919
1-(5-cyclohexylfuran-2-yl)ethanamine
CID 83830495
(3aS,6aR)-3-(2-methylpropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 176752736
5-cyclooctyl-4-propan-2-yl-1,2-oxazol-3-amine
CID 113490792
(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one?
The IUPAC name of 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one (CID 177096003) is 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one is CC(C)Cc1oc(=O)oc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one?
The InChIKey is GIBWEZJTYJHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)8-11-12(16-13(14)15-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one?
4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one has a molecular weight of 224.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one is sourced from PubChem (CID 177096003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).