2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane

C13H22O2 — CID 134979641

IUPAC2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCCC(C)(C2(C)OCCO2)C1C
InChIInChI=1S/C13H22O2/c1-10-6-5-7-12(3,11(10)2)13(4)14-8-9-15-13/h6,11H,5,7-9H2,1-4H3
InChIKeyWPVWQPZIGLGKRJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

About 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane

2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 134979641) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID134979641
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCCC(C)(C2(C)OCCO2)C1C
InChIInChI=1S/C13H22O2/c1-10-6-5-7-12(3,11(10)2)13(4)14-8-9-15-13/h6,11H,5,7-9H2,1-4H3
InChIKeyWPVWQPZIGLGKRJ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
1,3-Dioxolane, 2-(2,3-dimethyl-1-cyclopenten-3-yl)-2,4,5-trimethyl-
CID 575288
2-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
CID 15402297
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
2-(4,6-Dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane
CID 3759165
1,3-Dioxolane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-
CID 106947
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
2-(4-Fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
CID 147866924
1,4-Dioxaspiro[4.5]dec-7-ene, 7,9,9-trimethyl-
CID 10910189
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 58005039
1-Methoxy-6,8-dimethyl-2-oxaspiro[4.5]dec-7-ene
CID 66608614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 134979641) is 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=CCCC(C)(C2(C)OCCO2)C1C.
What is the InChIKey of 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is WPVWQPZIGLGKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-6-5-7-12(3,11(10)2)13(4)14-8-9-15-13/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 134979641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).