diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane

C16H32O4Sn — CID 173106859

IUPACdiethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
SMILESCCCC/C(C(=O)OCC)=C(\CCCC)C(=O)OCC.[SnH4]
InChIInChI=1S/C16H28O4.Sn.4H/c1-5-9-11-13(15(17)19-7-3)14(12-10-6-2)16(18)20-8-4;;;;;/h5-12H2,1-4H3;;;;;/b14-13-;;;;;
InChIKeyOHMVGBHMOJJYFN-IGMKIZKBSA-N
MW407.14 g/mol
LogP2.34
Rot. Bonds10

About diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane

diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane (PubChem CID 173106859) has the molecular formula C16H32O4Sn and a molecular weight of 407.14 g/mol. Its IUPAC name is diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane.

Molecular Properties

Compound Namediethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
PubChem CID173106859
Molecular FormulaC16H32O4Sn
Molecular Weight407.14 g/mol
Exact Mass408.13
IUPAC Namediethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
SMILESCCCC/C(C(=O)OCC)=C(\CCCC)C(=O)OCC.[SnH4]
InChIInChI=1S/C16H28O4.Sn.4H/c1-5-9-11-13(15(17)19-7-3)14(12-10-6-2)16(18)20-8-4;;;;;/h5-12H2,1-4H3;;;;;/b14-13-;;;;;
InChIKeyOHMVGBHMOJJYFN-IGMKIZKBSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (Z)-2-heptyl-3-pentylbut-2-enedioate
CID 88549280
ethyl 2-propan-2-ylidenehexanoate
CID 12572598
dioctyl (Z)-2,3-dibutylbut-2-enedioate
CID 87922304
diethyl 2-butyl-3-propan-2-ylbut-2-enedioate
CID 123974904
diethyl 2,3-bis(3-aminopropyl)but-2-enedioate
CID 173178622
dioctyl 2-butyl-3-pentylbut-2-enedioate
CID 173381305
dibutyl (Z)-2-butyl-3-hexylbut-2-enedioate
CID 88549249
(E)-3-butoxycarbonyl-2-butylhept-2-enoic acid
CID 87506880
3-ethoxycarbonyl-2-ethylnon-2-enoic acid
CID 154262038
diethyl 2-(2-methylpropyl)-3-pentylbut-2-enedioate
CID 123724979
dipropyl 2-octyl-3-pentylbut-2-enedioate
CID 123689942
dipropyl (Z)-2-decyl-3-octylbut-2-enedioate
CID 88549796

Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane?
The IUPAC name of diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane (CID 173106859) is diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane.
What is the SMILES notation for diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane?
The canonical SMILES for diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane is CCCC/C(C(=O)OCC)=C(\CCCC)C(=O)OCC.[SnH4].
What is the InChIKey of diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane?
The InChIKey is OHMVGBHMOJJYFN-IGMKIZKBSA-N. The full InChI is InChI=1S/C16H28O4.Sn.4H/c1-5-9-11-13(15(17)19-7-3)14(12-10-6-2)16(18)20-8-4;;;;;/h5-12H2,1-4H3;;;;;/b14-13-;;;;;.
What are the key properties of diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane?
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane has a molecular weight of 407.14 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane is sourced from PubChem (CID 173106859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).