di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane

C14H31ClSi — CID 87874164

IUPACdi(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane
SMILESCCC(C)[Si](Cl)(C(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C14H31ClSi/c1-9-12(5)16(15,13(6)10-2)14(7,8)11(3)4/h11-13H,9-10H2,1-8H3
InChIKeyNAEUKIWHBKSJTB-UHFFFAOYSA-N
MW262.94 g/mol
LogP6.21
Rot. Bonds6

About di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane

di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane (PubChem CID 87874164) has the molecular formula C14H31ClSi and a molecular weight of 262.94 g/mol. Its IUPAC name is di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane.

Molecular Properties

Compound Namedi(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane
PubChem CID87874164
Molecular FormulaC14H31ClSi
Molecular Weight262.94 g/mol
Exact Mass262.19
IUPAC Namedi(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane
SMILESCCC(C)[Si](Cl)(C(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C14H31ClSi/c1-9-12(5)16(15,13(6)10-2)14(7,8)11(3)4/h11-13H,9-10H2,1-8H3
InChIKeyNAEUKIWHBKSJTB-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.94
LogP ≤ 56.21
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 di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane?
The IUPAC name of di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane (CID 87874164) is di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane.
What is the SMILES notation for di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane?
The canonical SMILES for di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane is CCC(C)[Si](Cl)(C(C)CC)C(C)(C)C(C)C.
What is the InChIKey of di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane?
The InChIKey is NAEUKIWHBKSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClSi/c1-9-12(5)16(15,13(6)10-2)14(7,8)11(3)4/h11-13H,9-10H2,1-8H3.
What are the key properties of di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane?
di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane has a molecular weight of 262.94 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane is sourced from PubChem (CID 87874164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).