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

C29H37ClSi — CID 54124270

IUPACchloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(Cl)C1C(C)=CC2=C1C=CC=CC2C(C)C
InChIInChI=1S/C29H37ClSi/c1-18(2)22-12-8-10-14-24-26(22)16-20(5)28(24)31(7,30)29-21(6)17-27-23(19(3)4)13-9-11-15-25(27)29/h8-19,22-23,28-29H,1-7H3
InChIKeyNPWIFJOIHRQMOV-UHFFFAOYSA-N
MW449.15 g/mol
LogP8.85
Rot. Bonds4

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

chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (PubChem CID 54124270) has the molecular formula C29H37ClSi and a molecular weight of 449.15 g/mol. Its IUPAC name is chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.

Molecular Properties

Compound Namechloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
PubChem CID54124270
Molecular FormulaC29H37ClSi
Molecular Weight449.15 g/mol
Exact Mass448.24
IUPAC Namechloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(Cl)C1C(C)=CC2=C1C=CC=CC2C(C)C
InChIInChI=1S/C29H37ClSi/c1-18(2)22-12-8-10-14-24-26(22)16-20(5)28(24)31(7,30)29-21(6)17-27-23(19(3)4)13-9-11-15-25(27)29/h8-19,22-23,28-29H,1-7H3
InChIKeyNPWIFJOIHRQMOV-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.15
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The IUPAC name of chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (CID 54124270) is chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.
What is the SMILES notation for chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The canonical SMILES for chloro-methyl-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)(Cl)C1C(C)=CC2=C1C=CC=CC2C(C)C.
What is the InChIKey of chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The InChIKey is NPWIFJOIHRQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClSi/c1-18(2)22-12-8-10-14-24-26(22)16-20(5)28(24)31(7,30)29-21(6)17-27-23(19(3)4)13-9-11-15-25(27)29/h8-19,22-23,28-29H,1-7H3.
What are the key properties of chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane has a molecular weight of 449.15 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-bis(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is sourced from PubChem (CID 54124270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).