3-phenylpropoxy-tri(propan-2-yl)silane

C18H32OSi — CID 619294

IUPAC3-phenylpropoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)19-14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3
InChIKeyYZBTWHDISCMIAV-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.81
Rot. Bonds8

About 3-phenylpropoxy-tri(propan-2-yl)silane

3-phenylpropoxy-tri(propan-2-yl)silane (PubChem CID 619294) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 3-phenylpropoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-phenylpropoxy-tri(propan-2-yl)silane
PubChem CID619294
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name3-phenylpropoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)19-14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3
InChIKeyYZBTWHDISCMIAV-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Triethoxy(p-tolyl)silane
CID 4670738
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
Benzyltriethoxysilane
CID 75690
Benzene, (2-(trimethoxysilyl)ethyl)-
CID 170789
Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
(3-Ethoxypropyl)benzene
CID 79929
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
Benzyl(methoxy)dimethylsilane
CID 12749810
Silicic acid, ethyl 2-phenylethyl ester
CID 138395832
1-Methylperoxy-1-(3-phenylpropylperoxy)cyclododecane
CID 11111286
Silane, trimethyl(2-phenylethoxy)-
CID 518978

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-phenylpropoxy-tri(propan-2-yl)silane (CID 619294) is 3-phenylpropoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-phenylpropoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-phenylpropoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 3-phenylpropoxy-tri(propan-2-yl)silane?
The InChIKey is YZBTWHDISCMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)19-14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3.
What are the key properties of 3-phenylpropoxy-tri(propan-2-yl)silane?
3-phenylpropoxy-tri(propan-2-yl)silane has a molecular weight of 292.54 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 619294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).