(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one

C11H20O2Si — CID 162404388

IUPAC(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
SMILESC=C(C[C@H]1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-9(8-14(2,3)4)7-10-5-6-13-11(10)12/h10H,1,5-8H2,2-4H3/t10-/m1/s1
InChIKeyAMYVERLKHIUMTR-SNVBAGLBSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds4

About (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one

(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one (PubChem CID 162404388) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
PubChem CID162404388
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
SMILESC=C(C[C@H]1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-9(8-14(2,3)4)7-10-5-6-13-11(10)12/h10H,1,5-8H2,2-4H3/t10-/m1/s1
InChIKeyAMYVERLKHIUMTR-SNVBAGLBSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one
CID 11065997
3-[2-(Trimethylsilylmethyl)prop-2-enyl]oxan-2-one
CID 10751748
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 146018117
(1,2-Dimethylallyl)dihydrofuran-2(3H)-one
CID 3024123
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
methyl (3Z)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 13928497
3-(2-Methylprop-2-enyl)oxolan-2-one
CID 11815450
4-(3-Methylbut-3-en-2-yl)oxolan-2-one
CID 141543210
5-Methylidene-3-(3-trimethoxysilylpropyl)oxolan-2-one
CID 157360800

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one?
The IUPAC name of (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one (CID 162404388) is (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one is C=C(C[C@H]1CCOC1=O)C[Si](C)(C)C.
What is the InChIKey of (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one?
The InChIKey is AMYVERLKHIUMTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-9(8-14(2,3)4)7-10-5-6-13-11(10)12/h10H,1,5-8H2,2-4H3/t10-/m1/s1.
What are the key properties of (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one?
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one has a molecular weight of 212.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one is sourced from PubChem (CID 162404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).