tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin

C16H22O2Sn — CID 141092878

IUPACtert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
SMILESCCOC(=O)C1CC1c1ccc([Sn]C(C)(C)C)cc1
InChIInChI=1S/C12H13O2.C4H9.Sn/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;1-4(2)3;/h4-7,10-11H,2,8H2,1H3;1-3H3;
InChIKeyOYDGHWZYAUCORG-UHFFFAOYSA-N
MW365.06 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin

tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin (PubChem CID 141092878) has the molecular formula C16H22O2Sn and a molecular weight of 365.06 g/mol. Its IUPAC name is tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin.

Molecular Properties

Compound Nametert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
PubChem CID141092878
Molecular FormulaC16H22O2Sn
Molecular Weight365.06 g/mol
Exact Mass366.06
IUPAC Nametert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
SMILESCCOC(=O)C1CC1c1ccc([Sn]C(C)(C)C)cc1
InChIInChI=1S/C12H13O2.C4H9.Sn/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;1-4(2)3;/h4-7,10-11H,2,8H2,1H3;1-3H3;
InChIKeyOYDGHWZYAUCORG-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.06
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
CID 164906873
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate
CID 170620520
trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
CID 124671256
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-chloro-4-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 167287354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin?
The IUPAC name of tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin (CID 141092878) is tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin.
What is the SMILES notation for tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin?
The canonical SMILES for tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin is CCOC(=O)C1CC1c1ccc([Sn]C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin?
The InChIKey is OYDGHWZYAUCORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.C4H9.Sn/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;1-4(2)3;/h4-7,10-11H,2,8H2,1H3;1-3H3;.
What are the key properties of tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin?
tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin has a molecular weight of 365.06 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin is sourced from PubChem (CID 141092878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).