di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid

C11H20O4Sn — CID 159532184

IUPACdi(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid
SMILESC/C(=C/C(=O)O)C(=O)O.CC(C)[Sn]C(C)C
InChIInChI=1S/C5H6O4.2C3H7.Sn/c1-3(5(8)9)2-4(6)7;2*1-3-2;/h2H,1H3,(H,6,7)(H,8,9);2*3H,1-2H3;/b3-2-;;;
InChIKeyMDDGGAUAPFBXNI-GDNGEXCGSA-N
MW334.99 g/mol
LogP2.45
Rot. Bonds4

About di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid

di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid (PubChem CID 159532184) has the molecular formula C11H20O4Sn and a molecular weight of 334.99 g/mol. Its IUPAC name is di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid.

Molecular Properties

Compound Namedi(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid
PubChem CID159532184
Molecular FormulaC11H20O4Sn
Molecular Weight334.99 g/mol
Exact Mass336.04
IUPAC Namedi(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid
SMILESC/C(=C/C(=O)O)C(=O)O.CC(C)[Sn]C(C)C
InChIInChI=1S/C5H6O4.2C3H7.Sn/c1-3(5(8)9)2-4(6)7;2*1-3-2;/h2H,1H3,(H,6,7)(H,8,9);2*3H,1-2H3;/b3-2-;;;
InChIKeyMDDGGAUAPFBXNI-GDNGEXCGSA-N
XLogP2.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
strontium;hydride;(E)-2-methylbut-2-enedioic acid
CID 173151439
but-2-enedioic acid;2-methylbut-2-enedioic acid
CID 173069076
(Z)-2-methylbut-2-enedioic acid;pentanedioic acid
CID 175143944
5-hydroxy-3-methyl-4-oxohex-2-enoic acid
CID 174812078
(2E,4E)-2,4,6-trimethylhepta-2,4-dienoic acid
CID 118877849
(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
CID 139788321
(E)-3,5-dimethyl-4-methylidenehex-2-enoic acid
CID 159434204
1-chlorobuta-1,3-diene;(Z)-2-methylbut-2-enedioic acid
CID 174909115
2-methylbut-2-enedioic acid;phthalic acid
CID 67855060
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate
CID 22608878

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid?
The IUPAC name of di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid (CID 159532184) is di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid.
What is the SMILES notation for di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid?
The canonical SMILES for di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid is C/C(=C/C(=O)O)C(=O)O.CC(C)[Sn]C(C)C.
What is the InChIKey of di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid?
The InChIKey is MDDGGAUAPFBXNI-GDNGEXCGSA-N. The full InChI is InChI=1S/C5H6O4.2C3H7.Sn/c1-3(5(8)9)2-4(6)7;2*1-3-2;/h2H,1H3,(H,6,7)(H,8,9);2*3H,1-2H3;/b3-2-;;;.
What are the key properties of di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid?
di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid has a molecular weight of 334.99 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid is sourced from PubChem (CID 159532184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).