2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane

C12H20O2 — CID 134992232

IUPAC2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1=CCC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C12H20O2/c1-10-4-6-11(2,7-5-10)12(3)13-8-9-14-12/h4H,5-9H2,1-3H3
InChIKeyLONAFVWCVDQDDJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds1

About 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane

2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane (PubChem CID 134992232) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
PubChem CID134992232
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1=CCC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C12H20O2/c1-10-4-6-11(2,7-5-10)12(3)13-8-9-14-12/h4H,5-9H2,1-3H3
InChIKeyLONAFVWCVDQDDJ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

1,3-Dioxolane, 2-((2S)-2,6-dimethyl-5-hepten-1-yl)-
CID 86410
1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-
CID 11970548
1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl-
CID 2839799
1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
1,3-Dioxolane, 2-(2,3-dimethyl-1-cyclopenten-3-yl)-2,4,5-trimethyl-
CID 575288
8a-Methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
CID 25058445
2-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
CID 15402297
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane (CID 134992232) is 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane is CC1=CCC(C)(C2(C)OCCO2)CC1.
What is the InChIKey of 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The InChIKey is LONAFVWCVDQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-4-6-11(2,7-5-10)12(3)13-8-9-14-12/h4H,5-9H2,1-3H3.
What are the key properties of 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134992232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).