(3-methylcyclobutyl) furan-3-carboxylate

C10H12O3 — CID 130683637

IUPAC(3-methylcyclobutyl) furan-3-carboxylate
SMILESCC1CC(OC(=O)c2ccoc2)C1
InChIInChI=1S/C10H12O3/c1-7-4-9(5-7)13-10(11)8-2-3-12-6-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyXZWNYHWKSRNQOZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.23
Rot. Bonds2

About (3-methylcyclobutyl) furan-3-carboxylate

(3-methylcyclobutyl) furan-3-carboxylate (PubChem CID 130683637) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3-methylcyclobutyl) furan-3-carboxylate.

Molecular Properties

Compound Name(3-methylcyclobutyl) furan-3-carboxylate
PubChem CID130683637
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3-methylcyclobutyl) furan-3-carboxylate
SMILESCC1CC(OC(=O)c2ccoc2)C1
InChIInChI=1S/C10H12O3/c1-7-4-9(5-7)13-10(11)8-2-3-12-6-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyXZWNYHWKSRNQOZ-UHFFFAOYSA-N
XLogP2.23
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl) furan-3-carboxylate?
The IUPAC name of (3-methylcyclobutyl) furan-3-carboxylate (CID 130683637) is (3-methylcyclobutyl) furan-3-carboxylate.
What is the SMILES notation for (3-methylcyclobutyl) furan-3-carboxylate?
The canonical SMILES for (3-methylcyclobutyl) furan-3-carboxylate is CC1CC(OC(=O)c2ccoc2)C1.
What is the InChIKey of (3-methylcyclobutyl) furan-3-carboxylate?
The InChIKey is XZWNYHWKSRNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-4-9(5-7)13-10(11)8-2-3-12-6-8/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of (3-methylcyclobutyl) furan-3-carboxylate?
(3-methylcyclobutyl) furan-3-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl) furan-3-carboxylate is sourced from PubChem (CID 130683637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).