(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid

C16H30O4Si — CID 87789495

IUPAC(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid
SMILESCCC/C(C(=O)O)=C(\C(=O)O)[Si](CCC)(CCC)CCC
InChIInChI=1S/C16H30O4Si/c1-5-9-13(15(17)18)14(16(19)20)21(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3,(H,17,18)(H,19,20)/b14-13-
InChIKeyGBROKWHQCYLWGQ-YPKPFQOOSA-N
MW314.50 g/mol
LogP4.47
Rot. Bonds11

About (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid

(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid (PubChem CID 87789495) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid
PubChem CID87789495
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid
SMILESCCC/C(C(=O)O)=C(\C(=O)O)[Si](CCC)(CCC)CCC
InChIInChI=1S/C16H30O4Si/c1-5-9-13(15(17)18)14(16(19)20)21(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3,(H,17,18)(H,19,20)/b14-13-
InChIKeyGBROKWHQCYLWGQ-YPKPFQOOSA-N
XLogP4.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 173169828
2-[chloro(cyano)methylidene]pentanoic acid
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4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-oxopentanoic acid;dihydrochloride
CID 143025577
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
(2Z)-2-(1-hydroxyethylidene)hexanoic acid
CID 54715870
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
CID 87408506
CID 87408506

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid?
The IUPAC name of (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid (CID 87789495) is (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid.
What is the SMILES notation for (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid?
The canonical SMILES for (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid is CCC/C(C(=O)O)=C(\C(=O)O)[Si](CCC)(CCC)CCC.
What is the InChIKey of (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid?
The InChIKey is GBROKWHQCYLWGQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-5-9-13(15(17)18)14(16(19)20)21(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3,(H,17,18)(H,19,20)/b14-13-.
What are the key properties of (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid?
(Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid has a molecular weight of 314.50 g/mol, XLogP of 4.47, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propyl-3-tripropylsilylbut-2-enedioic acid is sourced from PubChem (CID 87789495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).