methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate

C16H30O2Si — CID 10967995

IUPACmethyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
SMILESCOC(=O)C1=CCC1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h9,11-14H,8,10H2,1-7H3
InChIKeyRULRGGHZRYWMBP-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.78
Rot. Bonds6

About methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate

methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate (PubChem CID 10967995) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
PubChem CID10967995
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Namemethyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
SMILESCOC(=O)C1=CCC1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h9,11-14H,8,10H2,1-7H3
InChIKeyRULRGGHZRYWMBP-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (S,E)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-4-methylhex-2-enoate
CID 11045268
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate
CID 134963638
methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983282
methyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983433
ethyl (E)-2-but-3-enyl-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 135012716
methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135035689
methyl (E,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135036326
dimethyl (2Z)-2-(1,2-dimethyl-2-propenyl)-2-butenedioate
CID 12508688
methyl (3R,4R)-3,4-dimethylcyclobutene-1-carboxylate
CID 12523848
Dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
CID 12563480
Ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate
CID 87271842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate?
The IUPAC name of methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate (CID 10967995) is methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate.
What is the SMILES notation for methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate?
The canonical SMILES for methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate is COC(=O)C1=CCC1C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate?
The InChIKey is RULRGGHZRYWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)10-14-8-9-15(14)16(17)18-7/h9,11-14H,8,10H2,1-7H3.
What are the key properties of methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate?
methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate has a molecular weight of 282.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate is sourced from PubChem (CID 10967995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).