trichloro(3-phenylbutyl)silane

C10H13Cl3Si — CID 12887571

IUPACtrichloro(3-phenylbutyl)silane
SMILESCC(CC[Si](Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H13Cl3Si/c1-9(7-8-14(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyGPVSLWULOZKEEZ-UHFFFAOYSA-N
MW267.66 g/mol
LogP4.84
Rot. Bonds4

About trichloro(3-phenylbutyl)silane

trichloro(3-phenylbutyl)silane (PubChem CID 12887571) has the molecular formula C10H13Cl3Si and a molecular weight of 267.66 g/mol. Its IUPAC name is trichloro(3-phenylbutyl)silane.

Molecular Properties

Compound Nametrichloro(3-phenylbutyl)silane
PubChem CID12887571
Molecular FormulaC10H13Cl3Si
Molecular Weight267.66 g/mol
Exact Mass265.99
IUPAC Nametrichloro(3-phenylbutyl)silane
SMILESCC(CC[Si](Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H13Cl3Si/c1-9(7-8-14(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyGPVSLWULOZKEEZ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trichloro(3-phenylbutyl)silane 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

trichloro(3,3-diphenylpropyl)silane
CID 19360814
4-chlorobutan-2-ylbenzene
CID 570466
pentan-2-ylbenzene
CID 17627
5-chloropentan-2-ylbenzene
CID 524354
[(E)-hept-5-en-2-yl]benzene
CID 22172140
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
oct-6-yn-2-ylbenzene
CID 101063649
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
4,7-diphenyloctan-2-ylbenzene
CID 21184937
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
6-phenylhexan-2-ylbenzene
CID 19704587
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388

Frequently Asked Questions

What is the IUPAC name of trichloro(3-phenylbutyl)silane?
The IUPAC name of trichloro(3-phenylbutyl)silane (CID 12887571) is trichloro(3-phenylbutyl)silane.
What is the SMILES notation for trichloro(3-phenylbutyl)silane?
The canonical SMILES for trichloro(3-phenylbutyl)silane is CC(CC[Si](Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of trichloro(3-phenylbutyl)silane?
The InChIKey is GPVSLWULOZKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3Si/c1-9(7-8-14(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of trichloro(3-phenylbutyl)silane?
trichloro(3-phenylbutyl)silane has a molecular weight of 267.66 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3-phenylbutyl)silane is sourced from PubChem (CID 12887571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).