[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane

C24H42OSi2 — CID 15972072

IUPAC[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
SMILESCCC1=C(CC)/C([Si](C)(C)C)=C2/COC/C2=C([Si](C)(C)C)/C(CC)=C\1CC
InChIInChI=1S/C24H42OSi2/c1-11-17-18(12-2)20(14-4)24(27(8,9)10)22-16-25-15-21(22)23(19(17)13-3)26(5,6)7/h11-16H2,1-10H3/b18-17-,19-17-,20-18-,23-19+,23-21+,24-20+,24-22+
InChIKeyZZKXOIRQTMQHGI-OARHRTAQSA-N
MW402.77 g/mol
LogP7.61
Rot. Bonds6

About [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane

[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane (PubChem CID 15972072) has the molecular formula C24H42OSi2 and a molecular weight of 402.77 g/mol. Its IUPAC name is [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
PubChem CID15972072
Molecular FormulaC24H42OSi2
Molecular Weight402.77 g/mol
Exact Mass402.28
IUPAC Name[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
SMILESCCC1=C(CC)/C([Si](C)(C)C)=C2/COC/C2=C([Si](C)(C)C)/C(CC)=C\1CC
InChIInChI=1S/C24H42OSi2/c1-11-17-18(12-2)20(14-4)24(27(8,9)10)22-16-25-15-21(22)23(19(17)13-3)26(5,6)7/h11-16H2,1-10H3/b18-17-,19-17-,20-18-,23-19+,23-21+,24-20+,24-22+
InChIKeyZZKXOIRQTMQHGI-OARHRTAQSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane with MolForge

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Related Compounds

trimethyl-[(4E,6Z,8E)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]silane
CID 10993124
[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
CID 10917011
[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane
CID 15430735
[(4E,6Z,8E)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
CID 15430740
trimethyl-[(2Z,9Z)-3,9,10-tris(trimethylsilyl)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraen-2-yl]silane
CID 100951043

Frequently Asked Questions

What is the IUPAC name of [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The IUPAC name of [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane (CID 15972072) is [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane.
What is the SMILES notation for [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The canonical SMILES for [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane is CCC1=C(CC)/C([Si](C)(C)C)=C2/COC/C2=C([Si](C)(C)C)/C(CC)=C\1CC.
What is the InChIKey of [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The InChIKey is ZZKXOIRQTMQHGI-OARHRTAQSA-N. The full InChI is InChI=1S/C24H42OSi2/c1-11-17-18(12-2)20(14-4)24(27(8,9)10)22-16-25-15-21(22)23(19(17)13-3)26(5,6)7/h11-16H2,1-10H3/b18-17-,19-17-,20-18-,23-19+,23-21+,24-20+,24-22+.
What are the key properties of [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane is sourced from PubChem (CID 15972072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).