dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate

C18H34O4Si2 — CID 15253975

IUPACdimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(C/C(=C/C)C(=O)OC)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-11-15(16(19)21-3)13-18(17(20)22-4,24(8,9)10)12-14(2)23(5,6)7/h11H,2,12-13H2,1,3-10H3/b15-11-
InChIKeyUOHJCDDKNMXCAJ-PTNGSMBKSA-N
MW370.64 g/mol
LogP4.57
Rot. Bonds8

About dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate

dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate (PubChem CID 15253975) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate.

Molecular Properties

Compound Namedimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate
PubChem CID15253975
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Namedimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate
SMILESC=C(CC(C/C(=C/C)C(=O)OC)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-11-15(16(19)21-3)13-18(17(20)22-4,24(8,9)10)12-14(2)23(5,6)7/h11H,2,12-13H2,1,3-10H3/b15-11-
InChIKeyUOHJCDDKNMXCAJ-PTNGSMBKSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dimethyl (4Z)-2-acetyl-4-ethylidene-2-methylpentanedioate
CID 15466856
methyl (E)-2-(hydroxymethyl)but-2-enoate
CID 14564319
methyl (E)-2-[(2-methylpropan-2-yl)oxymethyl]but-2-enoate
CID 11116752
methyl 2-(prop-2-enoxymethyl)but-2-enoate
CID 156786172
methyl 2-(2-aminoethyl)but-2-enoate
CID 57312138
azane;methyl 2-ethylidenepentanoate
CID 175242663
methyl 2-benzyl-2-trimethylsilylheptanoate
CID 14569484
methyl 4-amino-2-ethylidenepentanoate
CID 174726173
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-2-enoate
CID 73025701
(3E)-3-methoxycarbonyl-5-methylhexa-3,5-dienoic acid
CID 14288683
[(E)-2-methoxycarbonylbut-2-enyl] (E)-2-ethylbut-2-enoate
CID 59775571
dimethyl 2-ethyl-2-(2-methylprop-2-enyl)propanedioate
CID 59309466

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The IUPAC name of dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate (CID 15253975) is dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate.
What is the SMILES notation for dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The canonical SMILES for dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate is C=C(CC(C/C(=C/C)C(=O)OC)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
The InChIKey is UOHJCDDKNMXCAJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-11-15(16(19)21-3)13-18(17(20)22-4,24(8,9)10)12-14(2)23(5,6)7/h11H,2,12-13H2,1,3-10H3/b15-11-.
What are the key properties of dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate?
dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate has a molecular weight of 370.64 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-4-ethylidene-2-trimethylsilyl-2-(2-trimethylsilylprop-2-enyl)pentanedioate is sourced from PubChem (CID 15253975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).