2-(cyclobutylmethyl)furan

C9H12O — CID 139469251

IUPAC2-(cyclobutylmethyl)furan
SMILESc1coc(CC2CCC2)c1
InChIInChI=1S/C9H12O/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8H,1,3-4,7H2
InChIKeyOEOOVFVCLDRADX-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.62
Rot. Bonds2

About 2-(cyclobutylmethyl)furan

2-(cyclobutylmethyl)furan (PubChem CID 139469251) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)furan.

Molecular Properties

Compound Name2-(cyclobutylmethyl)furan
PubChem CID139469251
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-(cyclobutylmethyl)furan
SMILESc1coc(CC2CCC2)c1
InChIInChI=1S/C9H12O/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8H,1,3-4,7H2
InChIKeyOEOOVFVCLDRADX-UHFFFAOYSA-N
XLogP2.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)furan?
The IUPAC name of 2-(cyclobutylmethyl)furan (CID 139469251) is 2-(cyclobutylmethyl)furan.
What is the SMILES notation for 2-(cyclobutylmethyl)furan?
The canonical SMILES for 2-(cyclobutylmethyl)furan is c1coc(CC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylmethyl)furan?
The InChIKey is OEOOVFVCLDRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 2-(cyclobutylmethyl)furan?
2-(cyclobutylmethyl)furan has a molecular weight of 136.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)furan is sourced from PubChem (CID 139469251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).