dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate

C21H34O4Si — CID 101219663

IUPACdimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
SMILESCCCCC/C=C/C1=CCC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-17-13-14-21(19(22)24-2,20(23)25-3)15-18(17)16-26(4,5)6/h11-13,16H,7-10,14-15H2,1-6H3/b12-11+,18-16+
InChIKeyRUMKNTANVRRSGR-RTPSZKKVSA-N
MW378.59 g/mol
LogP4.98
Rot. Bonds8

About dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate

dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate (PubChem CID 101219663) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
PubChem CID101219663
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Namedimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
SMILESCCCCC/C=C/C1=CCC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-17-13-14-21(19(22)24-2,20(23)25-3)15-18(17)16-26(4,5)6/h11-13,16H,7-10,14-15H2,1-6H3/b12-11+,18-16+
InChIKeyRUMKNTANVRRSGR-RTPSZKKVSA-N
XLogP4.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-[(Z)-but-2-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 122381620
methyl (2R)-3-[(Z)-hept-1-enyl]-2H-azirine-2-carboxylate
CID 46844312
methyl (2R)-3-[(E)-pentadec-1-enyl]-2H-azirine-2-carboxylate
CID 10244717
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
methyl 3-[(E)-pentadec-1-enyl]-2H-azirine-2-carboxylate
CID 5386785
methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate
CID 70586981
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
dimethyl 3-hexanoylcyclohept-3-ene-1,1-dicarboxylate
CID 101465745
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143482
trans-dimethyl (3S,4S)-3-pentyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 102006866

Frequently Asked Questions

What is the IUPAC name of dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate (CID 101219663) is dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate is CCCCC/C=C/C1=CCC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C.
What is the InChIKey of dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate?
The InChIKey is RUMKNTANVRRSGR-RTPSZKKVSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-7-8-9-10-11-12-17-13-14-21(19(22)24-2,20(23)25-3)15-18(17)16-26(4,5)6/h11-13,16H,7-10,14-15H2,1-6H3/b12-11+,18-16+.
What are the key properties of dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate?
dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate has a molecular weight of 378.59 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 101219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).