dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate

C18H34O4Si2 — CID 102291835

IUPACdimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate
SMILESCOC(=O)C(C/C=C/C/C(=C(\C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O4Si2/c1-14(23(4,5)6)16(24(7,8)9)13-11-10-12-15(17(19)21-2)18(20)22-3/h10-11,15H,12-13H2,1-9H3/b11-10+,16-14-
InChIKeyFAYFNLVKVOKWSY-LNCFZFMDSA-N
MW370.64 g/mol
LogP4.36
Rot. Bonds8

About dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate

dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate (PubChem CID 102291835) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate
PubChem CID102291835
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Namedimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate
SMILESCOC(=O)C(C/C=C/C/C(=C(\C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O4Si2/c1-14(23(4,5)6)16(24(7,8)9)13-11-10-12-15(17(19)21-2)18(20)22-3/h10-11,15H,12-13H2,1-9H3/b11-10+,16-14-
InChIKeyFAYFNLVKVOKWSY-LNCFZFMDSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate?
The IUPAC name of dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate (CID 102291835) is dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate?
The canonical SMILES for dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate is COC(=O)C(C/C=C/C/C(=C(\C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate?
The InChIKey is FAYFNLVKVOKWSY-LNCFZFMDSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-14(23(4,5)6)16(24(7,8)9)13-11-10-12-15(17(19)21-2)18(20)22-3/h10-11,15H,12-13H2,1-9H3/b11-10+,16-14-.
What are the key properties of dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate?
dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate has a molecular weight of 370.64 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate is sourced from PubChem (CID 102291835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).