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

C15H26O2 — CID 134980023

IUPAC2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=C(C)C(C)[C@@](C)(C2(C)OCCO2)[C@H](C)C1
InChIInChI=1S/C15H26O2/c1-10-9-11(2)14(5,13(4)12(10)3)15(6)16-7-8-17-15/h11,13H,7-9H2,1-6H3/t11-,13?,14+/m1/s1
InChIKeySZPUJRQNBMODIN-VFXSIBAZSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds1

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

2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane (PubChem CID 134980023) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
PubChem CID134980023
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1=C(C)C(C)[C@@](C)(C2(C)OCCO2)[C@H](C)C1
InChIInChI=1S/C15H26O2/c1-10-9-11(2)14(5,13(4)12(10)3)15(6)16-7-8-17-15/h11,13H,7-9H2,1-6H3/t11-,13?,14+/m1/s1
InChIKeySZPUJRQNBMODIN-VFXSIBAZSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.77
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-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane (CID 134980023) is 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane is CC1=C(C)C(C)[C@@](C)(C2(C)OCCO2)[C@H](C)C1.
What is the InChIKey of 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The InChIKey is SZPUJRQNBMODIN-VFXSIBAZSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-9-11(2)14(5,13(4)12(10)3)15(6)16-7-8-17-15/h11,13H,7-9H2,1-6H3/t11-,13?,14+/m1/s1.
What are the key properties of 2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane?
2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 3.77, 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)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane is sourced from PubChem (CID 134980023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).