2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane

C14H24O2 — CID 134991349

IUPAC2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=CC[C@@H](C)[C@](C)(C2(C)OCCO2)C1C
InChIInChI=1S/C14H24O2/c1-10-6-7-11(2)13(4,12(10)3)14(5)15-8-9-16-14/h6,11-12H,7-9H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyFXSJRRCMQGEIMW-YPHAAILGSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

About 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane

2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane (PubChem CID 134991349) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
PubChem CID134991349
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=CC[C@@H](C)[C@](C)(C2(C)OCCO2)C1C
InChIInChI=1S/C14H24O2/c1-10-6-7-11(2)13(4,12(10)3)14(5)15-8-9-16-14/h6,11-12H,7-9H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyFXSJRRCMQGEIMW-YPHAAILGSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane (CID 134991349) is 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane is CC1=CC[C@@H](C)[C@](C)(C2(C)OCCO2)C1C.
What is the InChIKey of 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The InChIKey is FXSJRRCMQGEIMW-YPHAAILGSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-6-7-11(2)13(4,12(10)3)14(5)15-8-9-16-14/h6,11-12H,7-9H2,1-5H3/t11-,12?,13+/m1/s1.
What are the key properties of 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1S,6R)-1,2,3,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane is sourced from PubChem (CID 134991349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).