(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one

C11H18O2 — CID 11658396

IUPAC(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3/t11-/m0/s1
InChIKeyJWFJBYSFFKKMIX-NSHDSACASA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one

(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one (PubChem CID 11658396) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
PubChem CID11658396
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3/t11-/m0/s1
InChIKeyJWFJBYSFFKKMIX-NSHDSACASA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
2,5-Furandione, dihydro-3-(tetrapropenyl)-
CID 6438029
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
CID 122486
Orin lactone
CID 9942315
Trans-eldanolide
CID 11008321
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
CID 85572
Citronellene lactone
CID 108533
(3R,3aR,5E,9E,11aS)-3,6,10-Trimethyl-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
CID 91694425
3,6,10-trimethyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 131876254
(4R,5S)-4-Methyl-5-(3-methylbut-2-en-1-yl)dihydrofuran-2(3H)-one
CID 13367847
(S)-4-(4-methylpent-3-en-1-yl)butyrolactone
CID 12030665

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one (CID 11658396) is (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The canonical SMILES for (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one is CC(C)=CCC[C@@]1(C)CCC(=O)O1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The InChIKey is JWFJBYSFFKKMIX-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
(5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one is sourced from PubChem (CID 11658396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).