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

C26H46OSi2 — CID 10917011

IUPAC[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
SMILESCCCC1=C(CCC)/C([Si](C)(C)C)=C2/COC/C2=C([Si](C)(C)C)/C(CC)=C\1CC
InChIInChI=1S/C26H46OSi2/c1-11-15-21-19(13-3)20(14-4)25(28(5,6)7)23-17-27-18-24(23)26(29(8,9)10)22(21)16-12-2/h11-18H2,1-10H3/b20-19-,21-19-,22-21-,25-20+,25-23+,26-22+,26-24+
InChIKeyRGORTJABMZXIPY-BAOWYBJXSA-N
MW430.83 g/mol
LogP8.39
Rot. Bonds8

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

[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane (PubChem CID 10917011) has the molecular formula C26H46OSi2 and a molecular weight of 430.83 g/mol. Its IUPAC name is [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
PubChem CID10917011
Molecular FormulaC26H46OSi2
Molecular Weight430.83 g/mol
Exact Mass430.31
IUPAC Name[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
SMILESCCCC1=C(CCC)/C([Si](C)(C)C)=C2/COC/C2=C([Si](C)(C)C)/C(CC)=C\1CC
InChIInChI=1S/C26H46OSi2/c1-11-15-21-19(13-3)20(14-4)25(28(5,6)7)23-17-27-18-24(23)26(29(8,9)10)22(21)16-12-2/h11-18H2,1-10H3/b20-19-,21-19-,22-21-,25-20+,25-23+,26-22+,26-24+
InChIKeyRGORTJABMZXIPY-BAOWYBJXSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.83
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
[(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
[(3aZ,5Z,7Z,9Z)-5,6,7,8-tetraethyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane
CID 15972072

Frequently Asked Questions

What is the IUPAC name of [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The IUPAC name of [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane (CID 10917011) is [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane.
What is the SMILES notation for [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The canonical SMILES for [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane is CCCC1=C(CCC)/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)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
The InChIKey is RGORTJABMZXIPY-BAOWYBJXSA-N. The full InChI is InChI=1S/C26H46OSi2/c1-11-15-21-19(13-3)20(14-4)25(28(5,6)7)23-17-27-18-24(23)26(29(8,9)10)22(21)16-12-2/h11-18H2,1-10H3/b20-19-,21-19-,22-21-,25-20+,25-23+,26-22+,26-24+.
What are the key properties of [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane?
[(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane has a molecular weight of 430.83 g/mol, XLogP of 8.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aZ,5Z,7Z,9Z)-7,8-diethyl-5,6-dipropyl-4-trimethylsilyl-1,3-dihydrocycloocta[c]furan-9-yl]-trimethylsilane is sourced from PubChem (CID 10917011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).