2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane

C12H22O2 — CID 12914106

IUPAC2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(C2CCCCC2)OC1C
InChIInChI=1S/C12H22O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyWIOBEYOQFLFQFT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds1

About 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane

2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane (PubChem CID 12914106) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
PubChem CID12914106
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(C2CCCCC2)OC1C
InChIInChI=1S/C12H22O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyWIOBEYOQFLFQFT-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane?
The IUPAC name of 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane (CID 12914106) is 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane is CC1OC(C)(C2CCCCC2)OC1C.
What is the InChIKey of 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane?
The InChIKey is WIOBEYOQFLFQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane?
2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 12914106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).