(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid

C17H32O4Si — CID 141231497

IUPAC(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)CC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C17H32O4Si/c1-12(2)11-17(7,8)22(13(3)4,14(5)6)21-16(20)10-9-15(18)19/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9-
InChIKeyUBQSAZCBSANXJF-KTKRTIGZSA-N
MW328.53 g/mol
LogP4.76
Rot. Bonds8

About (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid

(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid (PubChem CID 141231497) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
PubChem CID141231497
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
SMILESCC(C)CC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C17H32O4Si/c1-12(2)11-17(7,8)22(13(3)4,14(5)6)21-16(20)10-9-15(18)19/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9-
InChIKeyUBQSAZCBSANXJF-KTKRTIGZSA-N
XLogP4.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(Z)-4-[2-methylhexan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231502
(Z)-4-[2-cyclohexylpropan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231511
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(E)-4-[2-[4-(2-methylpropyl)cyclohexyl]ethoxy]-4-oxobut-2-enoic acid
CID 172565476
(E)-4-(3,3-dimethoxy-2,2-dimethylpropoxy)-4-oxobut-2-enoic acid
CID 19785755
4-(3,3-dimethoxy-2,2-dimethylpropoxy)-4-oxobut-2-enoic acid
CID 54331608
(E)-4-(2-hydroxy-3,3,4-trimethylpentoxy)-4-oxobut-2-enoic acid
CID 139651963
methane;4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 173377461
4-(2,4-dimethylpentoxy)-4-oxobut-2-enoic acid
CID 54038646
(E)-4-(1-ethoxy-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
CID 135380311

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid (CID 141231497) is (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid is CC(C)CC(C)(C)[Si](OC(=O)/C=C\C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
The InChIKey is UBQSAZCBSANXJF-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-12(2)11-17(7,8)22(13(3)4,14(5)6)21-16(20)10-9-15(18)19/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9-.
What are the key properties of (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid?
(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid has a molecular weight of 328.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 141231497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).