butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C18H40O2Si — CID 19076224

IUPACbutan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCC(C)[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O2Si/c1-11-16(3)21(19-9,20-10)13-15(2)12-18(7,8)14-17(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyLBTYQJKGBCDUSU-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.01
Rot. Bonds9

About butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane

butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 19076224) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Namebutan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID19076224
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namebutan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCC(C)[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O2Si/c1-11-16(3)21(19-9,20-10)13-15(2)12-18(7,8)14-17(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyLBTYQJKGBCDUSU-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 19076224) is butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CCC(C)[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)OC.
What is the InChIKey of butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is LBTYQJKGBCDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-11-16(3)21(19-9,20-10)13-15(2)12-18(7,8)14-17(4,5)6/h15-16H,11-14H2,1-10H3.
What are the key properties of butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 316.60 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 19076224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).