(3E,5R)-5-methyl-3-pentylideneoxolan-2-one

C10H16O2 — CID 164676301

IUPAC(3E,5R)-5-methyl-3-pentylideneoxolan-2-one
SMILESCCCC/C=C1\C[C@@H](C)OC1=O
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1
InChIKeyBEUIZLAUWLZVEB-GTUWVTDSSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About (3E,5R)-5-methyl-3-pentylideneoxolan-2-one

(3E,5R)-5-methyl-3-pentylideneoxolan-2-one (PubChem CID 164676301) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E,5R)-5-methyl-3-pentylideneoxolan-2-one.

Molecular Properties

Compound Name(3E,5R)-5-methyl-3-pentylideneoxolan-2-one
PubChem CID164676301
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3E,5R)-5-methyl-3-pentylideneoxolan-2-one
SMILESCCCC/C=C1\C[C@@H](C)OC1=O
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1
InChIKeyBEUIZLAUWLZVEB-GTUWVTDSSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E,5R)-5-methyl-3-pentylideneoxolan-2-one?
The IUPAC name of (3E,5R)-5-methyl-3-pentylideneoxolan-2-one (CID 164676301) is (3E,5R)-5-methyl-3-pentylideneoxolan-2-one.
What is the SMILES notation for (3E,5R)-5-methyl-3-pentylideneoxolan-2-one?
The canonical SMILES for (3E,5R)-5-methyl-3-pentylideneoxolan-2-one is CCCC/C=C1\C[C@@H](C)OC1=O.
What is the InChIKey of (3E,5R)-5-methyl-3-pentylideneoxolan-2-one?
The InChIKey is BEUIZLAUWLZVEB-GTUWVTDSSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1.
What are the key properties of (3E,5R)-5-methyl-3-pentylideneoxolan-2-one?
(3E,5R)-5-methyl-3-pentylideneoxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-5-methyl-3-pentylideneoxolan-2-one is sourced from PubChem (CID 164676301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).