dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

C30H40Si — CID 54029016

IUPACdimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C1C(C)=CC2=C1C=CC=CC2C(C)C
InChIInChI=1S/C30H40Si/c1-19(2)23-13-9-11-15-25-27(23)17-21(5)29(25)31(7,8)30-22(6)18-28-24(20(3)4)14-10-12-16-26(28)30/h9-20,23-24,29-30H,1-8H3
InChIKeyLEGDSZUXLAHXKW-UHFFFAOYSA-N
MW428.74 g/mol
LogP8.74
Rot. Bonds4

About dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (PubChem CID 54029016) has the molecular formula C30H40Si and a molecular weight of 428.74 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
PubChem CID54029016
Molecular FormulaC30H40Si
Molecular Weight428.74 g/mol
Exact Mass428.29
IUPAC Namedimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C1C(C)=CC2=C1C=CC=CC2C(C)C
InChIInChI=1S/C30H40Si/c1-19(2)23-13-9-11-15-25-27(23)17-21(5)29(25)31(7,8)30-22(6)18-28-24(20(3)4)14-10-12-16-26(28)30/h9-20,23-24,29-30H,1-8H3
InChIKeyLEGDSZUXLAHXKW-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 58.74
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-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The IUPAC name of dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (CID 54029016) is dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is CC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C1C(C)=CC2=C1C=CC=CC2C(C)C.
What is the InChIKey of dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The InChIKey is LEGDSZUXLAHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Si/c1-19(2)23-13-9-11-15-25-27(23)17-21(5)29(25)31(7,8)30-22(6)18-28-24(20(3)4)14-10-12-16-26(28)30/h9-20,23-24,29-30H,1-8H3.
What are the key properties of dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane has a molecular weight of 428.74 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is sourced from PubChem (CID 54029016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).