2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane

C12H20O2 — CID 24977532

IUPAC2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane
SMILESC=C1CCC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C12H20O2/c1-10-4-6-11(2,7-5-10)12(3)13-8-9-14-12/h1,4-9H2,2-3H3
InChIKeyQUFGJCXKVOLDJL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds1

About 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane

2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane (PubChem CID 24977532) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane
PubChem CID24977532
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane
SMILESC=C1CCC(C)(C2(C)OCCO2)CC1
InChIInChI=1S/C12H20O2/c1-10-4-6-11(2,7-5-10)12(3)13-8-9-14-12/h1,4-9H2,2-3H3
InChIKeyQUFGJCXKVOLDJL-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

2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
(4beta)-1beta,7-(Isopropylidenedioxy)-p-mentha-8-ene
CID 9794331
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
2-(3,4-Dimethylpent-4-enyl)-2-methyl-1,3-dioxolane
CID 12622223
2-Methyl-2-(3-prop-1-en-2-ylheptyl)-1,3-dioxolane
CID 12622224
2-Methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
CID 71763484
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
CID 75219741
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
1,5-Dimethyl-7-methylidenespiro[bicyclo[3.3.1]-nonane-3,2'-[1,3]dioxolane]
CID 129757109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane (CID 24977532) is 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane is C=C1CCC(C)(C2(C)OCCO2)CC1.
What is the InChIKey of 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane?
The InChIKey is QUFGJCXKVOLDJL-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/h1,4-9H2,2-3H3.
What are the key properties of 2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane?
2-methyl-2-(1-methyl-4-methylidenecyclohexyl)-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-methyl-2-(1-methyl-4-methylidenecyclohexyl)-1,3-dioxolane is sourced from PubChem (CID 24977532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).