dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane

C30H36Si — CID 90948875

IUPACdimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane
SMILESCC1=CC2C(=C1[Si](C)(C)C1=C3C=CC4=C(CCCC4)C3C=C1C)C=CC1=C2CCCC1
InChIInChI=1S/C30H36Si/c1-19-17-27-23-11-7-5-9-21(23)13-15-25(27)29(19)31(3,4)30-20(2)18-28-24-12-8-6-10-22(24)14-16-26(28)30/h13-18,27-28H,5-12H2,1-4H3
InChIKeyIDYVMRAYXBFHAT-UHFFFAOYSA-N
MW424.70 g/mol
LogP8.40
Rot. Bonds2

About dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane

dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane (PubChem CID 90948875) has the molecular formula C30H36Si and a molecular weight of 424.70 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane
PubChem CID90948875
Molecular FormulaC30H36Si
Molecular Weight424.70 g/mol
Exact Mass424.26
IUPAC Namedimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane
SMILESCC1=CC2C(=C1[Si](C)(C)C1=C3C=CC4=C(CCCC4)C3C=C1C)C=CC1=C2CCCC1
InChIInChI=1S/C30H36Si/c1-19-17-27-23-11-7-5-9-21(23)13-15-25(27)29(19)31(3,4)30-20(2)18-28-24-12-8-6-10-22(24)14-16-26(28)30/h13-18,27-28H,5-12H2,1-4H3
InChIKeyIDYVMRAYXBFHAT-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 58.40
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(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane?
The IUPAC name of dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane (CID 90948875) is dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane is CC1=CC2C(=C1[Si](C)(C)C1=C3C=CC4=C(CCCC4)C3C=C1C)C=CC1=C2CCCC1.
What is the InChIKey of dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane?
The InChIKey is IDYVMRAYXBFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Si/c1-19-17-27-23-11-7-5-9-21(23)13-15-25(27)29(19)31(3,4)30-20(2)18-28-24-12-8-6-10-22(24)14-16-26(28)30/h13-18,27-28H,5-12H2,1-4H3.
What are the key properties of dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane?
dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane has a molecular weight of 424.70 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-7,8,9,9b-tetrahydro-6H-cyclopenta[a]naphthalen-3-yl)silane is sourced from PubChem (CID 90948875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).