2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane

C13H22O2 — CID 14785781

IUPAC2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
SMILESC=C1CCCCC1CCC1(C)OCCO1
InChIInChI=1S/C13H22O2/c1-11-5-3-4-6-12(11)7-8-13(2)14-9-10-15-13/h12H,1,3-10H2,2H3
InChIKeyFKKFFSOTBPSVAT-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane (PubChem CID 14785781) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
PubChem CID14785781
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
SMILESC=C1CCCCC1CCC1(C)OCCO1
InChIInChI=1S/C13H22O2/c1-11-5-3-4-6-12(11)7-8-13(2)14-9-10-15-13/h12H,1,3-10H2,2H3
InChIKeyFKKFFSOTBPSVAT-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane (CID 14785781) is 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane is C=C1CCCCC1CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane?
The InChIKey is FKKFFSOTBPSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-5-3-4-6-12(11)7-8-13(2)14-9-10-15-13/h12H,1,3-10H2,2H3.
What are the key properties of 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 14785781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).