2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane

C12H20O2 — CID 71390760

IUPAC2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane
SMILESCC1(C)CCC=C(CC2OCCO2)C1
InChIInChI=1S/C12H20O2/c1-12(2)5-3-4-10(9-12)8-11-13-6-7-14-11/h4,11H,3,5-9H2,1-2H3
InChIKeyLUBLQNIIJPOQGQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds2

About 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane

2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane (PubChem CID 71390760) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane
PubChem CID71390760
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane
SMILESCC1(C)CCC=C(CC2OCCO2)C1
InChIInChI=1S/C12H20O2/c1-12(2)5-3-4-10(9-12)8-11-13-6-7-14-11/h4,11H,3,5-9H2,1-2H3
InChIKeyLUBLQNIIJPOQGQ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane (CID 71390760) is 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane is CC1(C)CCC=C(CC2OCCO2)C1.
What is the InChIKey of 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane?
The InChIKey is LUBLQNIIJPOQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2)5-3-4-10(9-12)8-11-13-6-7-14-11/h4,11H,3,5-9H2,1-2H3.
What are the key properties of 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane?
2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethylcyclohexen-1-yl)methyl]-1,3-dioxolane is sourced from PubChem (CID 71390760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).