(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid

C14H26O4Si — CID 87789572

IUPAC(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid
SMILESCC(C)[Si](C/C(=C/C(=O)O)C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-9(2)19(10(3)4,11(5)6)8-12(14(17)18)7-13(15)16/h7,9-11H,8H2,1-6H3,(H,15,16)(H,17,18)/b12-7-
InChIKeyHHJXFICKEUXQSK-GHXNOFRVSA-N
MW286.44 g/mol
LogP3.76
Rot. Bonds7

About (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid

(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid (PubChem CID 87789572) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid
PubChem CID87789572
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid
SMILESCC(C)[Si](C/C(=C/C(=O)O)C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-9(2)19(10(3)4,11(5)6)8-12(14(17)18)7-13(15)16/h7,9-11H,8H2,1-6H3,(H,15,16)(H,17,18)/b12-7-
InChIKeyHHJXFICKEUXQSK-GHXNOFRVSA-N
XLogP3.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid?
The IUPAC name of (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid (CID 87789572) is (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid.
What is the SMILES notation for (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid?
The canonical SMILES for (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid is CC(C)[Si](C/C(=C/C(=O)O)C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid?
The InChIKey is HHJXFICKEUXQSK-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9(2)19(10(3)4,11(5)6)8-12(14(17)18)7-13(15)16/h7,9-11H,8H2,1-6H3,(H,15,16)(H,17,18)/b12-7-.
What are the key properties of (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid?
(E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid has a molecular weight of 286.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[tri(propan-2-yl)silylmethyl]but-2-enedioic acid is sourced from PubChem (CID 87789572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).