butoxy-(3-chlorophenoxy)-dimethylsilane

C12H19ClO2Si — CID 91730116

IUPACbutoxy-(3-chlorophenoxy)-dimethylsilane
SMILESCCCCO[Si](C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H19ClO2Si/c1-4-5-9-14-16(2,3)15-12-8-6-7-11(13)10-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyJAIPBCQUWLKTPY-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.24
Rot. Bonds6

About butoxy-(3-chlorophenoxy)-dimethylsilane

butoxy-(3-chlorophenoxy)-dimethylsilane (PubChem CID 91730116) has the molecular formula C12H19ClO2Si and a molecular weight of 258.82 g/mol. Its IUPAC name is butoxy-(3-chlorophenoxy)-dimethylsilane.

Molecular Properties

Compound Namebutoxy-(3-chlorophenoxy)-dimethylsilane
PubChem CID91730116
Molecular FormulaC12H19ClO2Si
Molecular Weight258.82 g/mol
Exact Mass258.08
IUPAC Namebutoxy-(3-chlorophenoxy)-dimethylsilane
SMILESCCCCO[Si](C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C12H19ClO2Si/c1-4-5-9-14-16(2,3)15-12-8-6-7-11(13)10-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyJAIPBCQUWLKTPY-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-(3-chlorophenoxy)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butoxy-(4-ethylphenoxy)-dimethylsilane
CID 91738659
(4-methoxyphenoxy)-dimethyl-nonoxysilane
CID 91742591
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735
dibutoxy-butyl-(3-chlorophenyl)silane
CID 159988297
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
CID 91744089
(3-chlorophenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
CID 91743588
butane;1,3-dichlorobenzene
CID 174455068
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
N-[(3-butoxyphenyl)methyl]-3-chloroaniline
CID 39394943

Frequently Asked Questions

What is the IUPAC name of butoxy-(3-chlorophenoxy)-dimethylsilane?
The IUPAC name of butoxy-(3-chlorophenoxy)-dimethylsilane (CID 91730116) is butoxy-(3-chlorophenoxy)-dimethylsilane.
What is the SMILES notation for butoxy-(3-chlorophenoxy)-dimethylsilane?
The canonical SMILES for butoxy-(3-chlorophenoxy)-dimethylsilane is CCCCO[Si](C)(C)Oc1cccc(Cl)c1.
What is the InChIKey of butoxy-(3-chlorophenoxy)-dimethylsilane?
The InChIKey is JAIPBCQUWLKTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2Si/c1-4-5-9-14-16(2,3)15-12-8-6-7-11(13)10-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of butoxy-(3-chlorophenoxy)-dimethylsilane?
butoxy-(3-chlorophenoxy)-dimethylsilane has a molecular weight of 258.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(3-chlorophenoxy)-dimethylsilane is sourced from PubChem (CID 91730116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).