2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane

C12H18O — CID 138636501

IUPAC2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane
SMILESC=C1CC(C)C(C2COC(=C)C2)C1
InChIInChI=1S/C12H18O/c1-8-4-9(2)12(5-8)11-6-10(3)13-7-11/h9,11-12H,1,3-7H2,2H3
InChIKeyONZNPMBSXKTPOQ-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.14
Rot. Bonds1

About 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane

2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane (PubChem CID 138636501) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane.

Molecular Properties

Compound Name2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane
PubChem CID138636501
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane
SMILESC=C1CC(C)C(C2COC(=C)C2)C1
InChIInChI=1S/C12H18O/c1-8-4-9(2)12(5-8)11-6-10(3)13-7-11/h9,11-12H,1,3-7H2,2H3
InChIKeyONZNPMBSXKTPOQ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.14
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-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane?
The IUPAC name of 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane (CID 138636501) is 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane.
What is the SMILES notation for 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane?
The canonical SMILES for 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane is C=C1CC(C)C(C2COC(=C)C2)C1.
What is the InChIKey of 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane?
The InChIKey is ONZNPMBSXKTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8-4-9(2)12(5-8)11-6-10(3)13-7-11/h9,11-12H,1,3-7H2,2H3.
What are the key properties of 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane?
2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane has a molecular weight of 178.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane is sourced from PubChem (CID 138636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).