1,1,2-trimethoxy-4-methyl-2-propylsilinane

C12H26O3Si — CID 175280918

IUPAC1,1,2-trimethoxy-4-methyl-2-propylsilinane
SMILESCCCC1(OC)CC(C)CC[Si]1(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-8-12(13-3)10-11(2)7-9-16(12,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyLITSUZGJKHUWAN-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.88
Rot. Bonds5

About 1,1,2-trimethoxy-4-methyl-2-propylsilinane

1,1,2-trimethoxy-4-methyl-2-propylsilinane (PubChem CID 175280918) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 1,1,2-trimethoxy-4-methyl-2-propylsilinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-4-methyl-2-propylsilinane
PubChem CID175280918
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name1,1,2-trimethoxy-4-methyl-2-propylsilinane
SMILESCCCC1(OC)CC(C)CC[Si]1(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-8-12(13-3)10-11(2)7-9-16(12,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyLITSUZGJKHUWAN-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-Trimethoxy-2-propyl-3-(trifluoromethyl)silinane
CID 174391507
7,7,9-Trimethyl-6-oxa-7-silaspiro[4.5]decane
CID 12195032
6-Heptan-2-yl-2,2-dimethyloxasilinane
CID 66800701
2-(1,1-Dimethoxy-2-methylbutyl)silinane
CID 123199922
1,1,2-Triethoxy-2-(2-methylpropyl)silinane
CID 174330444
Azane;1,1,2-trimethoxy-3-propylsilinane
CID 174464152
2-(3-Ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane
CID 174472441
3-Heptyl-1,1,2-trimethoxy-2-propylsilinane
CID 174550111
1,1,2-Trimethoxy-2,3-dipropylsilinane
CID 174589925
1,1,2-Triethoxy-2-ethyl-3-(2-methylpropyl)silinane
CID 174593190
1,1,2-Triethoxy-2-(3-methylbutyl)silinane
CID 174648839
(3-Ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane
CID 174652061

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-4-methyl-2-propylsilinane?
The IUPAC name of 1,1,2-trimethoxy-4-methyl-2-propylsilinane (CID 175280918) is 1,1,2-trimethoxy-4-methyl-2-propylsilinane.
What is the SMILES notation for 1,1,2-trimethoxy-4-methyl-2-propylsilinane?
The canonical SMILES for 1,1,2-trimethoxy-4-methyl-2-propylsilinane is CCCC1(OC)CC(C)CC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-4-methyl-2-propylsilinane?
The InChIKey is LITSUZGJKHUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-8-12(13-3)10-11(2)7-9-16(12,14-4)15-5/h11H,6-10H2,1-5H3.
What are the key properties of 1,1,2-trimethoxy-4-methyl-2-propylsilinane?
1,1,2-trimethoxy-4-methyl-2-propylsilinane has a molecular weight of 246.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-4-methyl-2-propylsilinane is sourced from PubChem (CID 175280918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).