ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate

C19H30O3Si — CID 11067633

IUPACethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
SMILESC=CCCC1(CCC#C[Si](C)(C)C)CCC(C(=O)OCC)C1=O
InChIInChI=1S/C19H30O3Si/c1-6-8-12-19(13-9-10-15-23(3,4)5)14-11-16(17(19)20)18(21)22-7-2/h6,16H,1,7-9,11-14H2,2-5H3
InChIKeyCLIPOHBBMGYLTJ-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.14
Rot. Bonds7

About ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate

ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate (PubChem CID 11067633) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
PubChem CID11067633
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Nameethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
SMILESC=CCCC1(CCC#C[Si](C)(C)C)CCC(C(=O)OCC)C1=O
InChIInChI=1S/C19H30O3Si/c1-6-8-12-19(13-9-10-15-23(3,4)5)14-11-16(17(19)20)18(21)22-7-2/h6,16H,1,7-9,11-14H2,2-5H3
InChIKeyCLIPOHBBMGYLTJ-UHFFFAOYSA-N
XLogP4.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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

ethyl 2-oxo-1-[(E)-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083415
ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
CID 134949863
ethyl (1R)-2-oxo-6-prop-1-en-2-yl-1-(3-trimethylsilylprop-2-ynyl)cyclohexane-1-carboxylate
CID 155931124
Ethyl 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylate
CID 236036
Ethyl 3-methylidene-1-(3-trimethylsilylprop-2-ynoyl)cyclohexane-1-carboxylate
CID 11551050
trans-ethyl (1R,3S)-2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylate
CID 92156756
cis-ethyl (1S,3S)-2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylate
CID 92156757
cis-ethyl (1R,3R)-2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylate
CID 92156758
trans-ethyl (1S,3R)-2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylate
CID 92156759
Diethyl 3-methylidene-4-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentane-1,1-dicarboxylate
CID 101476252

Frequently Asked Questions

What is the IUPAC name of ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate (CID 11067633) is ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate is C=CCCC1(CCC#C[Si](C)(C)C)CCC(C(=O)OCC)C1=O.
What is the InChIKey of ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
The InChIKey is CLIPOHBBMGYLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-6-8-12-19(13-9-10-15-23(3,4)5)14-11-16(17(19)20)18(21)22-7-2/h6,16H,1,7-9,11-14H2,2-5H3.
What are the key properties of ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate?
ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate has a molecular weight of 334.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 11067633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).