dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane

C13H26Cl2O2Si — CID 141250407

IUPACdichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane
SMILESCCCC(C1(CC)OCCCO1)[Si](Cl)(Cl)CCC
InChIInChI=1S/C13H26Cl2O2Si/c1-4-8-12(18(14,15)11-5-2)13(6-3)16-9-7-10-17-13/h12H,4-11H2,1-3H3
InChIKeyPWBDBLDPQUJECL-UHFFFAOYSA-N
MW313.34 g/mol
LogP5.03
Rot. Bonds7

About dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane

dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane (PubChem CID 141250407) has the molecular formula C13H26Cl2O2Si and a molecular weight of 313.34 g/mol. Its IUPAC name is dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane.

Molecular Properties

Compound Namedichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane
PubChem CID141250407
Molecular FormulaC13H26Cl2O2Si
Molecular Weight313.34 g/mol
Exact Mass312.11
IUPAC Namedichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane
SMILESCCCC(C1(CC)OCCCO1)[Si](Cl)(Cl)CCC
InChIInChI=1S/C13H26Cl2O2Si/c1-4-8-12(18(14,15)11-5-2)13(6-3)16-9-7-10-17-13/h12H,4-11H2,1-3H3
InChIKeyPWBDBLDPQUJECL-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane
CID 168875222
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
CID 141167016
(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
CID 102311904
2-(2-ethyl-1,3-dioxan-2-yl)propan-2-yloxy-di(propan-2-yloxy)-propylsilane
CID 141199986
chloromethoxy-(2-ethyl-1,3-dioxan-2-yl)-methoxy-propylsilane
CID 141250184
[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane
CID 141259847
4-(chloromethyl)-4-pentan-2-yloxane
CID 107893119
cyclohexane;pentan-2-ol
CID 67677243
2-methyl-1-(2-methyl-1,3-dioxan-2-yl)butan-1-one
CID 130457394
N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
CID 70159714
ethane;2-ethyl-2-propan-2-yloxolane
CID 156888373

Frequently Asked Questions

What is the IUPAC name of dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane?
The IUPAC name of dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane (CID 141250407) is dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane.
What is the SMILES notation for dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane?
The canonical SMILES for dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane is CCCC(C1(CC)OCCCO1)[Si](Cl)(Cl)CCC.
What is the InChIKey of dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane?
The InChIKey is PWBDBLDPQUJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Cl2O2Si/c1-4-8-12(18(14,15)11-5-2)13(6-3)16-9-7-10-17-13/h12H,4-11H2,1-3H3.
What are the key properties of dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane?
dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane has a molecular weight of 313.34 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane is sourced from PubChem (CID 141250407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).