chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane

C21H52Cl2Si2 — CID 167687731

IUPACchloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane
SMILESC.C.CC(C)[Si](CCl)(C(C)C)C(C)C.CC(C)[Si](Cl)(C(C)C)C(C)C
InChIInChI=1S/C10H23ClSi.C9H21ClSi.2CH4/c1-8(2)12(7-11,9(3)4)10(5)6;1-7(2)11(10,8(3)4)9(5)6;;/h8-10H,7H2,1-6H3;7-9H,1-6H3;2*1H4
InChIKeyWLUROHVESKSUPC-UHFFFAOYSA-N
MW431.73 g/mol
LogP10.12
Rot. Bonds7

About chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane

chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane (PubChem CID 167687731) has the molecular formula C21H52Cl2Si2 and a molecular weight of 431.73 g/mol. Its IUPAC name is chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane.

Molecular Properties

Compound Namechloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane
PubChem CID167687731
Molecular FormulaC21H52Cl2Si2
Molecular Weight431.73 g/mol
Exact Mass430.30
IUPAC Namechloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane
SMILESC.C.CC(C)[Si](CCl)(C(C)C)C(C)C.CC(C)[Si](Cl)(C(C)C)C(C)C
InChIInChI=1S/C10H23ClSi.C9H21ClSi.2CH4/c1-8(2)12(7-11,9(3)4)10(5)6;1-7(2)11(10,8(3)4)9(5)6;;/h8-10H,7H2,1-6H3;7-9H,1-6H3;2*1H4
InChIKeyWLUROHVESKSUPC-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.73
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane?
The IUPAC name of chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane (CID 167687731) is chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane.
What is the SMILES notation for chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane?
The canonical SMILES for chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane is C.C.CC(C)[Si](CCl)(C(C)C)C(C)C.CC(C)[Si](Cl)(C(C)C)C(C)C.
What is the InChIKey of chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane?
The InChIKey is WLUROHVESKSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClSi.C9H21ClSi.2CH4/c1-8(2)12(7-11,9(3)4)10(5)6;1-7(2)11(10,8(3)4)9(5)6;;/h8-10H,7H2,1-6H3;7-9H,1-6H3;2*1H4.
What are the key properties of chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane?
chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane has a molecular weight of 431.73 g/mol, XLogP of 10.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-tri(propan-2-yl)silane;chloro-tri(propan-2-yl)silane;methane is sourced from PubChem (CID 167687731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).