(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

C19H42O2Si — CID 173293514

IUPAC(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCCOC(OCC)([SiH2]C(C)C)C(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-11-20-19(21-12-2,22-15(3)4)16(5)13-18(9,10)14-17(6,7)8/h15-16H,11-14,22H2,1-10H3
InChIKeyOTOMTJFLTGEWFP-UHFFFAOYSA-N
MW330.63 g/mol
LogP5.20
Rot. Bonds10

About (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (PubChem CID 173293514) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.

Molecular Properties

Compound Name(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
PubChem CID173293514
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Name(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCCOC(OCC)([SiH2]C(C)C)C(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-11-20-19(21-12-2,22-15(3)4)16(5)13-18(9,10)14-17(6,7)8/h15-16H,11-14,22H2,1-10H3
InChIKeyOTOMTJFLTGEWFP-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The IUPAC name of (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (CID 173293514) is (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.
What is the SMILES notation for (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The canonical SMILES for (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is CCOC(OCC)([SiH2]C(C)C)C(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The InChIKey is OTOMTJFLTGEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-11-20-19(21-12-2,22-15(3)4)16(5)13-18(9,10)14-17(6,7)8/h15-16H,11-14,22H2,1-10H3.
What are the key properties of (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
(1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane has a molecular weight of 330.63 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is sourced from PubChem (CID 173293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).