3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane

C13H20O — CID 166905550

IUPAC3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane
SMILESC=C1CC(C)C(C2OC(=C)CC2C)C1
InChIInChI=1S/C13H20O/c1-8-5-9(2)12(6-8)13-10(3)7-11(4)14-13/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyUMFJNUZSVFPQHO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.53
Rot. Bonds1

About 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane

3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane (PubChem CID 166905550) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane.

Molecular Properties

Compound Name3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane
PubChem CID166905550
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane
SMILESC=C1CC(C)C(C2OC(=C)CC2C)C1
InChIInChI=1S/C13H20O/c1-8-5-9(2)12(6-8)13-10(3)7-11(4)14-13/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyUMFJNUZSVFPQHO-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.53
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 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane?
The IUPAC name of 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane (CID 166905550) is 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane.
What is the SMILES notation for 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane?
The canonical SMILES for 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane is C=C1CC(C)C(C2OC(=C)CC2C)C1.
What is the InChIKey of 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane?
The InChIKey is UMFJNUZSVFPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-8-5-9(2)12(6-8)13-10(3)7-11(4)14-13/h9-10,12-13H,1,4-7H2,2-3H3.
What are the key properties of 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane?
3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane has a molecular weight of 192.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane is sourced from PubChem (CID 166905550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).