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

C13H22O2 — CID 134980616

IUPAC2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=C(C)CC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-10-5-6-12(3,9-11(10)2)13(4)14-7-8-15-13/h5-9H2,1-4H3
InChIKeyQVKKOSXDLRVJHX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds1

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

2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 134980616) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID134980616
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=C(C)CC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-10-5-6-12(3,9-11(10)2)13(4)14-7-8-15-13/h5-9H2,1-4H3
InChIKeyQVKKOSXDLRVJHX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
7-Iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11822974
2-(3,4-Dimethyl-cyclohex-3-enyl)-[1,3]dioxolane
CID 13762355
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
2-Methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134979641
2-methyl-2-[(1R,6R)-1,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134979642
2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134980023
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156
2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991349
2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991460
2-Methyl-2-(1,2,3,4-tetramethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134992139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 134980616) is 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=C(C)CC(C)(C2(C)OCCO2)CC1.
What is the InChIKey of 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is QVKKOSXDLRVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-5-6-12(3,9-11(10)2)13(4)14-7-8-15-13/h5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 134980616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).