dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate

C18H34O6Si — CID 59044998

IUPACdimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate
SMILESCOC(=O)C(C(C)/C=C(/OC)O[Si](C)(C)C)C(C)C(C)(C)C(=O)OC
InChIInChI=1S/C18H34O6Si/c1-12(11-14(21-5)24-25(8,9)10)15(16(19)22-6)13(2)18(3,4)17(20)23-7/h11-13,15H,1-10H3/b14-11-
InChIKeyPVSFEEOTOSCWHQ-KAMYIIQDSA-N
MW374.55 g/mol
LogP3.59
Rot. Bonds9

About dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate

dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate (PubChem CID 59044998) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate.

Molecular Properties

Compound Namedimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate
PubChem CID59044998
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Namedimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate
SMILESCOC(=O)C(C(C)/C=C(/OC)O[Si](C)(C)C)C(C)C(C)(C)C(=O)OC
InChIInChI=1S/C18H34O6Si/c1-12(11-14(21-5)24-25(8,9)10)15(16(19)22-6)13(2)18(3,4)17(20)23-7/h11-13,15H,1-10H3/b14-11-
InChIKeyPVSFEEOTOSCWHQ-KAMYIIQDSA-N
XLogP3.59
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate with MolForge

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Related Compounds

methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
CID 146049302
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
triethyl-[(E,2R)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]oxysilane
CID 11044938
[(E)-2-methoxy-2-trimethylsilyloxyethenyl]-di(propan-2-yl)phosphane
CID 23264886
[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid
CID 173389263
[(Z)-1,2-dimethoxyethenoxy]-trimethylsilane
CID 11137664
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
[(E)-2-methoxy-2-trimethylsilyloxyethenoxy]-tri(propan-2-yl)silane
CID 11056264
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
CID 16658549
methyl 3-(5,6-dichloro-3-pyridinyl)-2,2-dimethyl-3-phenylpropanoate
CID 59138668
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate?
The IUPAC name of dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate (CID 59044998) is dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate.
What is the SMILES notation for dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate?
The canonical SMILES for dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate is COC(=O)C(C(C)/C=C(/OC)O[Si](C)(C)C)C(C)C(C)(C)C(=O)OC.
What is the InChIKey of dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate?
The InChIKey is PVSFEEOTOSCWHQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-12(11-14(21-5)24-25(8,9)10)15(16(19)22-6)13(2)18(3,4)17(20)23-7/h11-13,15H,1-10H3/b14-11-.
What are the key properties of dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate?
dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate has a molecular weight of 374.55 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[(Z)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]-2,2,3-trimethylpentanedioate is sourced from PubChem (CID 59044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).