4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane

C27H42Si — CID 54375570

IUPAC4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C27H42Si/c1-28(2,27-20-24-16-12-9-13-17-25(24)21-27)26-18-22-14-10-7-5-3-4-6-8-11-15-23(22)19-26/h18-21,26-27H,3-17H2,1-2H3
InChIKeyUWGHDPVUTHSFFX-UHFFFAOYSA-N
MW394.72 g/mol
LogP9.05
Rot. Bonds2

About 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane

4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane (PubChem CID 54375570) has the molecular formula C27H42Si and a molecular weight of 394.72 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
PubChem CID54375570
Molecular FormulaC27H42Si
Molecular Weight394.72 g/mol
Exact Mass394.31
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCC2=C1
InChIInChI=1S/C27H42Si/c1-28(2,27-20-24-16-12-9-13-17-25(24)21-27)26-18-22-14-10-7-5-3-4-6-8-11-15-23(22)19-26/h18-21,26-27H,3-17H2,1-2H3
InChIKeyUWGHDPVUTHSFFX-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane (CID 54375570) is 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane is C[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCC2=C1.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
The InChIKey is UWGHDPVUTHSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42Si/c1-28(2,27-20-24-16-12-9-13-17-25(24)21-27)26-18-22-14-10-7-5-3-4-6-8-11-15-23(22)19-26/h18-21,26-27H,3-17H2,1-2H3.
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane?
4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane has a molecular weight of 394.72 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane is sourced from PubChem (CID 54375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).