2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane

C14H24O2 — CID 134991460

IUPAC2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=C(C)C[C@@](C)(C2(C)OCCO2)[C@H](C)C1
InChIInChI=1S/C14H24O2/c1-10-8-12(3)13(4,9-11(10)2)14(5)15-6-7-16-14/h12H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyFDUCJKNUYUIDGW-CHWSQXEVSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds1

About 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane

2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane (PubChem CID 134991460) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
PubChem CID134991460
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=C(C)C[C@@](C)(C2(C)OCCO2)[C@H](C)C1
InChIInChI=1S/C14H24O2/c1-10-8-12(3)13(4,9-11(10)2)14(5)15-6-7-16-14/h12H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyFDUCJKNUYUIDGW-CHWSQXEVSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane (CID 134991460) is 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane is CC1=C(C)C[C@@](C)(C2(C)OCCO2)[C@H](C)C1.
What is the InChIKey of 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The InChIKey is FDUCJKNUYUIDGW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-8-12(3)13(4,9-11(10)2)14(5)15-6-7-16-14/h12H,6-9H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane?
2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 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,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane is sourced from PubChem (CID 134991460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).