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

C13H22O2 — CID 134980022

IUPAC2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1C=CC[C@@H](C)[C@]1(C)C1(C)OCCO1
InChIInChI=1S/C13H22O2/c1-10-6-5-7-11(2)12(10,3)13(4)14-8-9-15-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11-,12-/m1/s1
InChIKeyBHAQCDHOLSKGGW-PQDIPPBSSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds1

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

2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane (PubChem CID 134980022) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
PubChem CID134980022
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
SMILESCC1C=CC[C@@H](C)[C@]1(C)C1(C)OCCO1
InChIInChI=1S/C13H22O2/c1-10-6-5-7-11(2)12(10,3)13(4)14-8-9-15-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11-,12-/m1/s1
InChIKeyBHAQCDHOLSKGGW-PQDIPPBSSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.99
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)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane (CID 134980022) is 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane is CC1C=CC[C@@H](C)[C@]1(C)C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane?
The InChIKey is BHAQCDHOLSKGGW-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-6-5-7-11(2)12(10,3)13(4)14-8-9-15-13/h5-6,10-11H,7-9H2,1-4H3/t10?,11-,12-/m1/s1.
What are the key properties of 2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane?
2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 2.99, 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)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane is sourced from PubChem (CID 134980022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).