CID 165001242

C13H19O4Si — CID 165001242

IUPAC—
SMILESCCC1(C)OCc2cc([Si](OC)OC)ccc2O1
InChIInChI=1S/C13H19O4Si/c1-5-13(2)16-9-10-8-11(18(14-3)15-4)6-7-12(10)17-13/h6-8H,5,9H2,1-4H3
InChIKeyNIBBROXUOWEXHC-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.71
Rot. Bonds4

About CID 165001242

CID 165001242 (PubChem CID 165001242) has the molecular formula C13H19O4Si and a molecular weight of 267.38 g/mol.

Molecular Properties

Compound NameCID 165001242
PubChem CID165001242
Molecular FormulaC13H19O4Si
Molecular Weight267.38 g/mol
Exact Mass267.11
IUPAC Name—
SMILESCCC1(C)OCc2cc([Si](OC)OC)ccc2O1
InChIInChI=1S/C13H19O4Si/c1-5-13(2)16-9-10-8-11(18(14-3)15-4)6-7-12(10)17-13/h6-8H,5,9H2,1-4H3
InChIKeyNIBBROXUOWEXHC-UHFFFAOYSA-N
XLogP1.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 164981926
CID 164981926
dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816242
CID 164958869
CID 164958869
CID 164958879
CID 164958879
3-(2,6-dimethyl-4H-1,3-benzodioxin-2-yl)propan-1-amine
CID 115062918
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816153
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
2-(6-bromo-2-methyl-4H-1,3-benzodioxin-2-yl)acetic acid
CID 115062931
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 13375620

Frequently Asked Questions

What is the IUPAC name of CID 165001242?
The IUPAC name of CID 165001242 (CID 165001242) is not available.
What is the SMILES notation for CID 165001242?
The canonical SMILES for CID 165001242 is CCC1(C)OCc2cc([Si](OC)OC)ccc2O1.
What is the InChIKey of CID 165001242?
The InChIKey is NIBBROXUOWEXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4Si/c1-5-13(2)16-9-10-8-11(18(14-3)15-4)6-7-12(10)17-13/h6-8H,5,9H2,1-4H3.
What are the key properties of CID 165001242?
CID 165001242 has a molecular weight of 267.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165001242 is sourced from PubChem (CID 165001242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).