3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane

C12H20O2 — CID 141062322

IUPAC3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane
SMILESCOCC1(COC)CC(=CC2CC2)C1
InChIInChI=1S/C12H20O2/c1-13-8-12(9-14-2)6-11(7-12)5-10-3-4-10/h5,10H,3-4,6-9H2,1-2H3
InChIKeyUGFOYGJILNKKOZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.40
Rot. Bonds5

About 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane

3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane (PubChem CID 141062322) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane.

Molecular Properties

Compound Name3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane
PubChem CID141062322
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane
SMILESCOCC1(COC)CC(=CC2CC2)C1
InChIInChI=1S/C12H20O2/c1-13-8-12(9-14-2)6-11(7-12)5-10-3-4-10/h5,10H,3-4,6-9H2,1-2H3
InChIKeyUGFOYGJILNKKOZ-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.40
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 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane?
The IUPAC name of 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane (CID 141062322) is 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane.
What is the SMILES notation for 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane?
The canonical SMILES for 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane is COCC1(COC)CC(=CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane?
The InChIKey is UGFOYGJILNKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-13-8-12(9-14-2)6-11(7-12)5-10-3-4-10/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane?
3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane has a molecular weight of 196.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane is sourced from PubChem (CID 141062322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).