2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane

C14H24O — CID 22914105

IUPAC2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
SMILESCC1=CCC(C2COC(C)(C)C2)C1(C)C
InChIInChI=1S/C14H24O/c1-10-6-7-12(14(10,4)5)11-8-13(2,3)15-9-11/h6,11-12H,7-9H2,1-5H3
InChIKeyLLSZFWOMXRPGGM-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds1

About 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane

2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane (PubChem CID 22914105) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
PubChem CID22914105
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
SMILESCC1=CCC(C2COC(C)(C)C2)C1(C)C
InChIInChI=1S/C14H24O/c1-10-6-7-12(14(10,4)5)11-8-13(2,3)15-9-11/h6,11-12H,7-9H2,1-5H3
InChIKeyLLSZFWOMXRPGGM-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The IUPAC name of 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane (CID 22914105) is 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane.
What is the SMILES notation for 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The canonical SMILES for 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane is CC1=CCC(C2COC(C)(C)C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The InChIKey is LLSZFWOMXRPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-7-12(14(10,4)5)11-8-13(2,3)15-9-11/h6,11-12H,7-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane has a molecular weight of 208.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane is sourced from PubChem (CID 22914105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).