(1,1,4-trimethylsilinan-4-yl) prop-2-enoate

C11H20O2Si — CID 18381221

IUPAC(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC[Si](C)(C)CC1
InChIInChI=1S/C11H20O2Si/c1-5-10(12)13-11(2)6-8-14(3,4)9-7-11/h5H,1,6-9H2,2-4H3
InChIKeyZIDKSTCHRDQSDN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds2

About (1,1,4-trimethylsilinan-4-yl) prop-2-enoate

(1,1,4-trimethylsilinan-4-yl) prop-2-enoate (PubChem CID 18381221) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (1,1,4-trimethylsilinan-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
PubChem CID18381221
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC[Si](C)(C)CC1
InChIInChI=1S/C11H20O2Si/c1-5-10(12)13-11(2)6-8-14(3,4)9-7-11/h5H,1,6-9H2,2-4H3
InChIKeyZIDKSTCHRDQSDN-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-3-oxocyclobutyl) prop-2-enoate
CID 154597536
(1-methyl-4-pentyl-4-propylcyclohexyl) prop-2-enoate
CID 145215456
(7-acetyloxy-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) prop-2-enoate
CID 134187130
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
(1-methylcycloheptyl) prop-2-enoate;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161154462
[2-[2-(2-prop-2-enoyloxyoxetan-2-yl)ethyl]oxetan-2-yl] prop-2-enoate
CID 175067757
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
CID 67204162
(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 22898172
(3-butoxy-1-methylcyclopentyl) prop-2-enoate
CID 58844093
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006

Frequently Asked Questions

What is the IUPAC name of (1,1,4-trimethylsilinan-4-yl) prop-2-enoate?
The IUPAC name of (1,1,4-trimethylsilinan-4-yl) prop-2-enoate (CID 18381221) is (1,1,4-trimethylsilinan-4-yl) prop-2-enoate.
What is the SMILES notation for (1,1,4-trimethylsilinan-4-yl) prop-2-enoate?
The canonical SMILES for (1,1,4-trimethylsilinan-4-yl) prop-2-enoate is C=CC(=O)OC1(C)CC[Si](C)(C)CC1.
What is the InChIKey of (1,1,4-trimethylsilinan-4-yl) prop-2-enoate?
The InChIKey is ZIDKSTCHRDQSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-10(12)13-11(2)6-8-14(3,4)9-7-11/h5H,1,6-9H2,2-4H3.
What are the key properties of (1,1,4-trimethylsilinan-4-yl) prop-2-enoate?
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate has a molecular weight of 212.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,4-trimethylsilinan-4-yl) prop-2-enoate is sourced from PubChem (CID 18381221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).