2-cyclopropyl-3,4-dipropyl-2H-furan-5-one

C13H20O2 — CID 15074429

IUPAC2-cyclopropyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(C2CC2)OC1=O
InChIInChI=1S/C13H20O2/c1-3-5-10-11(6-4-2)13(14)15-12(10)9-7-8-9/h9,12H,3-8H2,1-2H3
InChIKeyNTXANNUKQNLESM-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds5

About 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one

2-cyclopropyl-3,4-dipropyl-2H-furan-5-one (PubChem CID 15074429) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one.

Molecular Properties

Compound Name2-cyclopropyl-3,4-dipropyl-2H-furan-5-one
PubChem CID15074429
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-cyclopropyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(C2CC2)OC1=O
InChIInChI=1S/C13H20O2/c1-3-5-10-11(6-4-2)13(14)15-12(10)9-7-8-9/h9,12H,3-8H2,1-2H3
InChIKeyNTXANNUKQNLESM-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6E,10R,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 15523780
(6E,10S,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 643721
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
Capensifuranone
CID 21673749
(10R,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 162917263
2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one
CID 59125817
2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
CID 59125818
Ethyl 2-propan-2-ylcyclopentene-1-carboxylate
CID 69470654
3-butan-2-yl-4-methyl-2-propyl-2H-furan-5-one
CID 90932452
2,4-dimethyl-3-(3-methylbutyl)-2H-furan-5-one
CID 123917809
Ethyl 2-propanoylbicyclo[3.1.0]hex-2-ene-3-carboxylate
CID 124129309
4,5-Dimethyl-2-(2-methylpropyl)-2,3-dihydropyran-6-one
CID 130318501

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one?
The IUPAC name of 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one (CID 15074429) is 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one.
What is the SMILES notation for 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one?
The canonical SMILES for 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one is CCCC1=C(CCC)C(C2CC2)OC1=O.
What is the InChIKey of 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one?
The InChIKey is NTXANNUKQNLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-10-11(6-4-2)13(14)15-12(10)9-7-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one?
2-cyclopropyl-3,4-dipropyl-2H-furan-5-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,4-dipropyl-2H-furan-5-one is sourced from PubChem (CID 15074429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).