3-methyl-2-pentyl-2H-furan-5-one

C10H16O2 — CID 14434712

IUPAC3-methyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1OC(=O)C=C1C
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h7,9H,3-6H2,1-2H3
InChIKeySRIJTZPTPZDLAO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 3-methyl-2-pentyl-2H-furan-5-one

3-methyl-2-pentyl-2H-furan-5-one (PubChem CID 14434712) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methyl-2-pentyl-2H-furan-5-one
PubChem CID14434712
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1OC(=O)C=C1C
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h7,9H,3-6H2,1-2H3
InChIKeySRIJTZPTPZDLAO-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-2H-furan-5-one?
The IUPAC name of 3-methyl-2-pentyl-2H-furan-5-one (CID 14434712) is 3-methyl-2-pentyl-2H-furan-5-one.
What is the SMILES notation for 3-methyl-2-pentyl-2H-furan-5-one?
The canonical SMILES for 3-methyl-2-pentyl-2H-furan-5-one is CCCCCC1OC(=O)C=C1C.
What is the InChIKey of 3-methyl-2-pentyl-2H-furan-5-one?
The InChIKey is SRIJTZPTPZDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-2H-furan-5-one?
3-methyl-2-pentyl-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-2H-furan-5-one is sourced from PubChem (CID 14434712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).