(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one

C11H22O2Si — CID 101185880

IUPAC(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one
SMILESCCC[C@@H]1C[C@H](C[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C11H22O2Si/c1-5-6-10-7-9(11(12)13-10)8-14(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyRHZZSGIMADUQKX-NXEZZACHSA-N
MW214.38 g/mol
LogP3.06
Rot. Bonds4

About (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one

(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one (PubChem CID 101185880) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one
PubChem CID101185880
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one
SMILESCCC[C@@H]1C[C@H](C[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C11H22O2Si/c1-5-6-10-7-9(11(12)13-10)8-14(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyRHZZSGIMADUQKX-NXEZZACHSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597
10-Methylundecan-4-olide
CID 21778194
10-Methyldodecan-4-olide
CID 21778195
Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
CID 110667
5-Butyl-4-methyldihydro-2(3H)-furanone, cis-(-)-
CID 11094871
9-Methyldecano-4-lactone
CID 121218622

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one?
The IUPAC name of (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one (CID 101185880) is (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one?
The canonical SMILES for (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one is CCC[C@@H]1C[C@H](C[Si](C)(C)C)C(=O)O1.
What is the InChIKey of (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one?
The InChIKey is RHZZSGIMADUQKX-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-6-10-7-9(11(12)13-10)8-14(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one?
(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one has a molecular weight of 214.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one is sourced from PubChem (CID 101185880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).