4-chlorobutyl-dihydroxy-methoxysilane

C5H13ClO3Si — CID 139211998

IUPAC4-chlorobutyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCCl
InChIInChI=1S/C5H13ClO3Si/c1-9-10(7,8)5-3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyFNZBLDHGYJWVKT-UHFFFAOYSA-N
MW184.69 g/mol
LogP0.58
Rot. Bonds5

About 4-chlorobutyl-dihydroxy-methoxysilane

4-chlorobutyl-dihydroxy-methoxysilane (PubChem CID 139211998) has the molecular formula C5H13ClO3Si and a molecular weight of 184.69 g/mol. Its IUPAC name is 4-chlorobutyl-dihydroxy-methoxysilane.

Molecular Properties

Compound Name4-chlorobutyl-dihydroxy-methoxysilane
PubChem CID139211998
Molecular FormulaC5H13ClO3Si
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name4-chlorobutyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCCl
InChIInChI=1S/C5H13ClO3Si/c1-9-10(7,8)5-3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyFNZBLDHGYJWVKT-UHFFFAOYSA-N
XLogP0.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutyl-dihydroxy-methoxysilane?
The IUPAC name of 4-chlorobutyl-dihydroxy-methoxysilane (CID 139211998) is 4-chlorobutyl-dihydroxy-methoxysilane.
What is the SMILES notation for 4-chlorobutyl-dihydroxy-methoxysilane?
The canonical SMILES for 4-chlorobutyl-dihydroxy-methoxysilane is CO[Si](O)(O)CCCCCl.
What is the InChIKey of 4-chlorobutyl-dihydroxy-methoxysilane?
The InChIKey is FNZBLDHGYJWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO3Si/c1-9-10(7,8)5-3-2-4-6/h7-8H,2-5H2,1H3.
What are the key properties of 4-chlorobutyl-dihydroxy-methoxysilane?
4-chlorobutyl-dihydroxy-methoxysilane has a molecular weight of 184.69 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl-dihydroxy-methoxysilane is sourced from PubChem (CID 139211998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).