(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate

C14H26O3Si — CID 70421368

IUPAC(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
SMILESCCCC[Si]1(OC(=O)C(C)=C(C)C)CCCCO1
InChIInChI=1S/C14H26O3Si/c1-5-6-10-18(11-8-7-9-16-18)17-14(15)13(4)12(2)3/h5-11H2,1-4H3
InChIKeyNPDRTHKNYWMIHI-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.94
Rot. Bonds5

About (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate

(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate (PubChem CID 70421368) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
PubChem CID70421368
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
SMILESCCCC[Si]1(OC(=O)C(C)=C(C)C)CCCCO1
InChIInChI=1S/C14H26O3Si/c1-5-6-10-18(11-8-7-9-16-18)17-14(15)13(4)12(2)3/h5-11H2,1-4H3
InChIKeyNPDRTHKNYWMIHI-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
decyl 2,3-dimethylbut-2-enoate
CID 146279966
2-ethyl-2-propyloxasilinane
CID 174644479
butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane
CID 174878181
butane;2,2-dimethyloxasilinane
CID 175060345
butanedioic acid;2,2-dimethyloxasilinane
CID 174614210
methane;2-methyl-2-propyloxasilinane
CID 159999289
butyl acetate;oxolane;propan-2-one
CID 158259250
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
2-ethyl-2-hydroxyoxasilinane
CID 21251751
N-butylformamide;2-methyl-2-propyloxasilinane
CID 88727082
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299

Frequently Asked Questions

What is the IUPAC name of (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate?
The IUPAC name of (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate (CID 70421368) is (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate.
What is the SMILES notation for (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate?
The canonical SMILES for (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate is CCCC[Si]1(OC(=O)C(C)=C(C)C)CCCCO1.
What is the InChIKey of (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate?
The InChIKey is NPDRTHKNYWMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-5-6-10-18(11-8-7-9-16-18)17-14(15)13(4)12(2)3/h5-11H2,1-4H3.
What are the key properties of (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate?
(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 70421368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).