2-cyclohexyl-4-methyl-1,3-dioxole

C10H16O2 — CID 141309438

IUPAC2-cyclohexyl-4-methyl-1,3-dioxole
SMILESCC1=COC(C2CCCCC2)O1
InChIInChI=1S/C10H16O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3
InChIKeyQPLJNQPBWARRAQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.80
Rot. Bonds1

About 2-cyclohexyl-4-methyl-1,3-dioxole

2-cyclohexyl-4-methyl-1,3-dioxole (PubChem CID 141309438) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-1,3-dioxole
PubChem CID141309438
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-cyclohexyl-4-methyl-1,3-dioxole
SMILESCC1=COC(C2CCCCC2)O1
InChIInChI=1S/C10H16O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3
InChIKeyQPLJNQPBWARRAQ-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-1,3-dioxole?
The IUPAC name of 2-cyclohexyl-4-methyl-1,3-dioxole (CID 141309438) is 2-cyclohexyl-4-methyl-1,3-dioxole.
What is the SMILES notation for 2-cyclohexyl-4-methyl-1,3-dioxole?
The canonical SMILES for 2-cyclohexyl-4-methyl-1,3-dioxole is CC1=COC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-4-methyl-1,3-dioxole?
The InChIKey is QPLJNQPBWARRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-4-methyl-1,3-dioxole?
2-cyclohexyl-4-methyl-1,3-dioxole has a molecular weight of 168.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-1,3-dioxole is sourced from PubChem (CID 141309438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).