1,1-dimethoxypentan-3-ylsilane

C7H18O2Si — CID 174743035

IUPAC1,1-dimethoxypentan-3-ylsilane
SMILESCCC([SiH3])CC(OC)OC
InChIInChI=1S/C7H18O2Si/c1-4-6(10)5-7(8-2)9-3/h6-7H,4-5H2,1-3,10H3
InChIKeyOEFWYBJUGXVYSC-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.56
Rot. Bonds5

About 1,1-dimethoxypentan-3-ylsilane

1,1-dimethoxypentan-3-ylsilane (PubChem CID 174743035) has the molecular formula C7H18O2Si and a molecular weight of 162.30 g/mol. Its IUPAC name is 1,1-dimethoxypentan-3-ylsilane.

Molecular Properties

Compound Name1,1-dimethoxypentan-3-ylsilane
PubChem CID174743035
Molecular FormulaC7H18O2Si
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1,1-dimethoxypentan-3-ylsilane
SMILESCCC([SiH3])CC(OC)OC
InChIInChI=1S/C7H18O2Si/c1-4-6(10)5-7(8-2)9-3/h6-7H,4-5H2,1-3,10H3
InChIKeyOEFWYBJUGXVYSC-UHFFFAOYSA-N
XLogP0.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.56
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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Related Compounds

3-chloro-1,1-dimethoxybutane
CID 119097582
CID 59090951
CID 59090951
deuterium monohydride;bis(1,1-dimethoxypropane);hydrazine;propane
CID 160777115
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
2-(2,2-dimethoxyethyl)propanedinitrile
CID 11008134
1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
tris(1-methoxypropoxy)-methylsilane
CID 18954126
1-methoxy-1-propoxypropane
CID 19963975
2-aminosilyl-1,1-dimethoxyethane
CID 150753930
2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268420
ethyl 2-fluoro-4,4-dimethoxybutanoate
CID 134163160
1-methoxypropoxy(pentan-3-yl)silane
CID 175054785

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxypentan-3-ylsilane?
The IUPAC name of 1,1-dimethoxypentan-3-ylsilane (CID 174743035) is 1,1-dimethoxypentan-3-ylsilane.
What is the SMILES notation for 1,1-dimethoxypentan-3-ylsilane?
The canonical SMILES for 1,1-dimethoxypentan-3-ylsilane is CCC([SiH3])CC(OC)OC.
What is the InChIKey of 1,1-dimethoxypentan-3-ylsilane?
The InChIKey is OEFWYBJUGXVYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2Si/c1-4-6(10)5-7(8-2)9-3/h6-7H,4-5H2,1-3,10H3.
What are the key properties of 1,1-dimethoxypentan-3-ylsilane?
1,1-dimethoxypentan-3-ylsilane has a molecular weight of 162.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypentan-3-ylsilane is sourced from PubChem (CID 174743035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).