dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane

C34H56Si — CID 54038716

IUPACdimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane
SMILESCC1=C2CCCCCCCCCCC2=CC1[Si](C)(C)C1C=C2CCCCCCCCCCC2=C1C
InChIInChI=1S/C34H56Si/c1-27-31-23-19-15-11-7-5-9-13-17-21-29(31)25-33(27)35(3,4)34-26-30-22-18-14-10-6-8-12-16-20-24-32(30)28(34)2/h25-26,33-34H,5-24H2,1-4H3
InChIKeyLKURYQAQGRPQPA-UHFFFAOYSA-N
MW492.91 g/mol
LogP11.78
Rot. Bonds2

About dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane

dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane (PubChem CID 54038716) has the molecular formula C34H56Si and a molecular weight of 492.91 g/mol. Its IUPAC name is dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane
PubChem CID54038716
Molecular FormulaC34H56Si
Molecular Weight492.91 g/mol
Exact Mass492.42
IUPAC Namedimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane
SMILESCC1=C2CCCCCCCCCCC2=CC1[Si](C)(C)C1C=C2CCCCCCCCCCC2=C1C
InChIInChI=1S/C34H56Si/c1-27-31-23-19-15-11-7-5-9-13-17-21-29(31)25-33(27)35(3,4)34-26-30-22-18-14-10-6-8-12-16-20-24-32(30)28(34)2/h25-26,33-34H,5-24H2,1-4H3
InChIKeyLKURYQAQGRPQPA-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.91
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane?
The IUPAC name of dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane (CID 54038716) is dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane.
What is the SMILES notation for dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane?
The canonical SMILES for dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane is CC1=C2CCCCCCCCCCC2=CC1[Si](C)(C)C1C=C2CCCCCCCCCCC2=C1C.
What is the InChIKey of dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane?
The InChIKey is LKURYQAQGRPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56Si/c1-27-31-23-19-15-11-7-5-9-13-17-21-29(31)25-33(27)35(3,4)34-26-30-22-18-14-10-6-8-12-16-20-24-32(30)28(34)2/h25-26,33-34H,5-24H2,1-4H3.
What are the key properties of dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane?
dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane has a molecular weight of 492.91 g/mol, XLogP of 11.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane is sourced from PubChem (CID 54038716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).