3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one

C15H20O4 — CID 162399469

IUPAC3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one
SMILESCC(=O)CCC1C(C)C(=O)OC1C1=C(C)CCC1=O
InChIInChI=1S/C15H20O4/c1-8-4-7-12(17)13(8)14-11(6-5-9(2)16)10(3)15(18)19-14/h10-11,14H,4-7H2,1-3H3
InChIKeyPDSCDNUFADIZFU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.21
Rot. Bonds4

About 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one

3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one (PubChem CID 162399469) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one
PubChem CID162399469
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one
SMILESCC(=O)CCC1C(C)C(=O)OC1C1=C(C)CCC1=O
InChIInChI=1S/C15H20O4/c1-8-4-7-12(17)13(8)14-11(6-5-9(2)16)10(3)15(18)19-14/h10-11,14H,4-7H2,1-3H3
InChIKeyPDSCDNUFADIZFU-UHFFFAOYSA-N
XLogP2.21
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one?
The IUPAC name of 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one (CID 162399469) is 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one.
What is the SMILES notation for 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one?
The canonical SMILES for 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one is CC(=O)CCC1C(C)C(=O)OC1C1=C(C)CCC1=O.
What is the InChIKey of 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one?
The InChIKey is PDSCDNUFADIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-4-7-12(17)13(8)14-11(6-5-9(2)16)10(3)15(18)19-14/h10-11,14H,4-7H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one?
3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one is sourced from PubChem (CID 162399469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).