2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane

C13H22O — CID 102012177

IUPAC2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane
SMILESCC1=CC(C2OCCC2C(C)C)CC1
InChIInChI=1S/C13H22O/c1-9(2)12-6-7-14-13(12)11-5-4-10(3)8-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyANWHXGYETRVUIV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.40
Rot. Bonds2

About 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane

2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane (PubChem CID 102012177) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane.

Molecular Properties

Compound Name2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane
PubChem CID102012177
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane
SMILESCC1=CC(C2OCCC2C(C)C)CC1
InChIInChI=1S/C13H22O/c1-9(2)12-6-7-14-13(12)11-5-4-10(3)8-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyANWHXGYETRVUIV-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.40
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-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane?
The IUPAC name of 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane (CID 102012177) is 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane.
What is the SMILES notation for 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane?
The canonical SMILES for 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane is CC1=CC(C2OCCC2C(C)C)CC1.
What is the InChIKey of 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane?
The InChIKey is ANWHXGYETRVUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)12-6-7-14-13(12)11-5-4-10(3)8-11/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane?
2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane has a molecular weight of 194.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopent-2-en-1-yl)-3-propan-2-yloxolane is sourced from PubChem (CID 102012177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).