(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate

C11H18O2Si — CID 125486342

IUPAC(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
SMILESC=C(CC#C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C11H18O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h1,7,9H2,2-5H3
InChIKeyRVTZOAQCRWMWRI-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds3

About (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate

(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate (PubChem CID 125486342) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate.

Molecular Properties

Compound Name(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
PubChem CID125486342
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
SMILESC=C(CC#C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C11H18O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h1,7,9H2,2-5H3
InChIKeyRVTZOAQCRWMWRI-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-methylidenebutyl) acetate
CID 121433426
3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
CID 149346214
methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
CID 11805971
[4-(acetyloxymethyl)-2-methylidene-3-oxopent-4-enyl] acetate
CID 54165995
2-(chlorosulfonylmethyl)prop-2-enyl acetate
CID 44623403
(3-hydroxy-3-methyl-7-trimethylsilylhept-6-ynyl) acetate
CID 10611120
bis(2-acetyloxyacetic acid);palladium
CID 156697217
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11460565
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
CID 134980171
[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate
CID 15421012
3-(trimethylsilylmethyl)but-3-enyl acetate
CID 12841797

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate?
The IUPAC name of (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate (CID 125486342) is (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate.
What is the SMILES notation for (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate?
The canonical SMILES for (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate is C=C(CC#C[Si](C)(C)C)COC(C)=O.
What is the InChIKey of (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate?
The InChIKey is RVTZOAQCRWMWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h1,7,9H2,2-5H3.
What are the key properties of (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate?
(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-trimethylsilylpent-4-ynyl) acetate is sourced from PubChem (CID 125486342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).