2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane

C11H18O2 — CID 10702587

IUPAC2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESC[C@@H]1C=CCC[C@H]1C1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-9-5-3-4-6-10(9)11(2)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMOHNJQXWKBQHRU-NXEZZACHSA-N
MW182.26 g/mol
LogP2.35
Rot. Bonds1

About 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane

2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane (PubChem CID 10702587) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane
PubChem CID10702587
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESC[C@@H]1C=CCC[C@H]1C1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-9-5-3-4-6-10(9)11(2)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMOHNJQXWKBQHRU-NXEZZACHSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane with MolForge

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Related Compounds

(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
CID 162453236
1,2-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 118976665
6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 71390518
(3R,4R)-3,4-dimethylcycloocta-1,5-diene
CID 129383569
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
(3S)-3-methylcyclopentene
CID 11018803
(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
CID 13481035
[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
CID 55289732
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
(3R,4S)-4-[(1S)-cyclopent-2-en-1-yl]-3-methylcyclopentene
CID 156740514
1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
CID 130026689
4-(2,2-dimethylpropyl)-3-methylcyclohexene
CID 59984603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane (CID 10702587) is 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane is C[C@@H]1C=CCC[C@H]1C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane?
The InChIKey is MOHNJQXWKBQHRU-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-3-4-6-10(9)11(2)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane?
2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane is sourced from PubChem (CID 10702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).