(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one

C11H16O3 — CID 66552933

IUPAC(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one
SMILESCC(C)=CC(=O)C[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C11H16O3/c1-8(2)6-9(12)7-11(3)5-4-10(13)14-11/h6H,4-5,7H2,1-3H3/t11-/m1/s1
InChIKeyMJFNQTVRNUJMHF-LLVKDONJSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds3

About (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one

(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one (PubChem CID 66552933) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one
PubChem CID66552933
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one
SMILESCC(C)=CC(=O)C[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C11H16O3/c1-8(2)6-9(12)7-11(3)5-4-10(13)14-11/h6H,4-5,7H2,1-3H3/t11-/m1/s1
InChIKeyMJFNQTVRNUJMHF-LLVKDONJSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
Orin lactone
CID 9942315
(2-Ethylhexenyl)succinic anhydride
CID 6439550
Pinnatolide
CID 14830725
5-Hex-3-enyl-5-methyloxolan-2-one
CID 85703
8-Methyl-1-oxaspiro[4.5]dec-7-en-2-one
CID 10997405
Tert-butyl 8-methyl-3-oxonon-7-enoate
CID 11957917
Tert-butyl 2-(2-methyl-4-oxocyclohex-2-en-1-yl)acetate
CID 13683355
Tert-butyl 4-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 135085673
3-(2-Ethylhex-2-enyl)oxolane-2,5-dione
CID 133353
(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
CID 11658396

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one?
The IUPAC name of (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one (CID 66552933) is (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one?
The canonical SMILES for (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one is CC(C)=CC(=O)C[C@@]1(C)CCC(=O)O1.
What is the InChIKey of (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one?
The InChIKey is MJFNQTVRNUJMHF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)6-9(12)7-11(3)5-4-10(13)14-11/h6H,4-5,7H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one?
(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one is sourced from PubChem (CID 66552933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).