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

C10H16O2 — CID 10583235

IUPAC4-methyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1C=C(C)C(=O)O1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)10(11)12-9/h7,9H,3-6H2,1-2H3
InChIKeyIORFDMUXGUQFNJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 4-methyl-2-pentyl-2H-furan-5-one

4-methyl-2-pentyl-2H-furan-5-one (PubChem CID 10583235) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-pentyl-2H-furan-5-one
PubChem CID10583235
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-2-pentyl-2H-furan-5-one
SMILESCCCCCC1C=C(C)C(=O)O1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)10(11)12-9/h7,9H,3-6H2,1-2H3
InChIKeyIORFDMUXGUQFNJ-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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Related Compounds

Geranyl tiglate
CID 5367785
Citronellyl tiglate
CID 6386037
2-Nonenoic acid gamma-lactone
CID 89559
Massoia Lactone
CID 642793
Hexyl 2-hexenoate, (2E)-
CID 6435861
3-N-Butyl-4,5-Dihydrophthalide
CID 173843
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914
1-Ethylhexyl tiglate
CID 6008212
Aristolactone
CID 13821316
Tuberatolide A
CID 50993673
Alpha,beta-acariolide
CID 11041080

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentyl-2H-furan-5-one?
The IUPAC name of 4-methyl-2-pentyl-2H-furan-5-one (CID 10583235) is 4-methyl-2-pentyl-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-pentyl-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-pentyl-2H-furan-5-one is CCCCCC1C=C(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-pentyl-2H-furan-5-one?
The InChIKey is IORFDMUXGUQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)10(11)12-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-pentyl-2H-furan-5-one?
4-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 4-methyl-2-pentyl-2H-furan-5-one is sourced from PubChem (CID 10583235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).