3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate

C10H20O2Si — CID 123824812

IUPAC3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-8(10(2,3)4)9(11)12-6-5-7-13/h1,5-7H2,2-4,13H3
InChIKeyJWRCCUQZSUPXJR-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds4

About 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate

3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate (PubChem CID 123824812) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate.

Molecular Properties

Compound Name3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate
PubChem CID123824812
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-8(10(2,3)4)9(11)12-6-5-7-13/h1,5-7H2,2-4,13H3
InChIKeyJWRCCUQZSUPXJR-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-dimethyl-2-methylidenebutanoyl)oxypropyl 3,3-dimethyl-2-methylidenebutanoate
CID 175270584
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
methyl 3,3-dimethyl-2-methylidenebutanoate;pentyl 2-methylprop-2-enoate
CID 174795864
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 155660625
butyl 3,3,4-tribromo-2-methylidenebutanoate
CID 19901791
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
[[(2S)-1-aminopropan-2-yl]amino] 3,3-dimethyl-2-methylidenebutanoate
CID 174733843
CID 23094248
CID 23094248
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
3-silylpropyl butanoate
CID 154457340
3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
CID 123384477

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate?
The IUPAC name of 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate (CID 123824812) is 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate.
What is the SMILES notation for 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate?
The canonical SMILES for 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate is C=C(C(=O)OCCC[SiH3])C(C)(C)C.
What is the InChIKey of 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate?
The InChIKey is JWRCCUQZSUPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-8(10(2,3)4)9(11)12-6-5-7-13/h1,5-7H2,2-4,13H3.
What are the key properties of 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate?
3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate has a molecular weight of 200.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate is sourced from PubChem (CID 123824812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).