(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane

C19H27ClOSi — CID 140729300

IUPAC(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc2cc(Cl)ccc12)(C(C)C)C(C)C
InChIInChI=1S/C19H27ClOSi/c1-13(2)22(14(3)4,15(5)6)21-19-9-7-8-16-12-17(20)10-11-18(16)19/h7-15H,1-6H3
InChIKeyZXNSNSPVNAUHNL-UHFFFAOYSA-N
MW334.96 g/mol
LogP7.05
Rot. Bonds5

About (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane

(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 140729300) has the molecular formula C19H27ClOSi and a molecular weight of 334.96 g/mol. Its IUPAC name is (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID140729300
Molecular FormulaC19H27ClOSi
Molecular Weight334.96 g/mol
Exact Mass334.15
IUPAC Name(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc2cc(Cl)ccc12)(C(C)C)C(C)C
InChIInChI=1S/C19H27ClOSi/c1-13(2)22(14(3)4,15(5)6)21-19-9-7-8-16-12-17(20)10-11-18(16)19/h7-15H,1-6H3
InChIKeyZXNSNSPVNAUHNL-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.96
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane (CID 140729300) is (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1cccc2cc(Cl)ccc12)(C(C)C)C(C)C.
What is the InChIKey of (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is ZXNSNSPVNAUHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClOSi/c1-13(2)22(14(3)4,15(5)6)21-19-9-7-8-16-12-17(20)10-11-18(16)19/h7-15H,1-6H3.
What are the key properties of (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane?
(6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 334.96 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloronaphthalen-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 140729300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).