(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one

C12H20O2 — CID 90803407

IUPAC(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one
SMILESCCCC=C(C)[C@@H]1CC(=O)C(C)(C)O1
InChIInChI=1S/C12H20O2/c1-5-6-7-9(2)10-8-11(13)12(3,4)14-10/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeySDDAMSVGOUORJA-JTQLQIEISA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds3

About (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one

(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one (PubChem CID 90803407) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one
PubChem CID90803407
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one
SMILESCCCC=C(C)[C@@H]1CC(=O)C(C)(C)O1
InChIInChI=1S/C12H20O2/c1-5-6-7-9(2)10-8-11(13)12(3,4)14-10/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeySDDAMSVGOUORJA-JTQLQIEISA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
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

(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
CID 162882478
2,6,6,10-Tetramethyl-1-oxaspiro[4.5]dec-9-en-3-one
CID 54188185
2,6,6,10-Tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
CID 6428985
[(E)-7-methoxy-3,7-dimethyl-6-oxooct-2-enyl] acetate
CID 12884535
5-[(2E,6E)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 13579138
5-[(2E,6E)-8-bromo-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 44199948
5-[(E)-hex-2-en-2-yl]-2,2-dimethyloxolan-3-one
CID 57978684
(5S)-5-[(E)-hex-2-en-2-yl]-2,2-dimethyloxolan-3-one
CID 57978685
2,2-dimethyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
CID 60020483
2,2-Dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one
CID 72624064
5-(8-Hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one
CID 73184984
5-Hex-2-en-2-yl-2,2-dimethyloxolan-3-one
CID 76694493

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one?
The IUPAC name of (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one (CID 90803407) is (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one.
What is the SMILES notation for (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one?
The canonical SMILES for (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one is CCCC=C(C)[C@@H]1CC(=O)C(C)(C)O1.
What is the InChIKey of (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one?
The InChIKey is SDDAMSVGOUORJA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20O2/c1-5-6-7-9(2)10-8-11(13)12(3,4)14-10/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1.
What are the key properties of (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one?
(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 90803407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).