(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane

C17H30OSi — CID 174463599

IUPAC(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane
SMILESCC(CCO[SiH](C(C)C)C(C)C)Cc1ccccc1
InChIInChI=1S/C17H30OSi/c1-14(2)19(15(3)4)18-12-11-16(5)13-17-9-7-6-8-10-17/h6-10,14-16,19H,11-13H2,1-5H3
InChIKeyAGJJGUJHMUFGEX-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.82
Rot. Bonds8

About (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane

(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane (PubChem CID 174463599) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Name(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane
PubChem CID174463599
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane
SMILESCC(CCO[SiH](C(C)C)C(C)C)Cc1ccccc1
InChIInChI=1S/C17H30OSi/c1-14(2)19(15(3)4)18-12-11-16(5)13-17-9-7-6-8-10-17/h6-10,14-16,19H,11-13H2,1-5H3
InChIKeyAGJJGUJHMUFGEX-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-phenylpropane-1-thiol
CID 19981761
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane?
The IUPAC name of (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane (CID 174463599) is (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane.
What is the SMILES notation for (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane?
The canonical SMILES for (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane is CC(CCO[SiH](C(C)C)C(C)C)Cc1ccccc1.
What is the InChIKey of (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane?
The InChIKey is AGJJGUJHMUFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-14(2)19(15(3)4)18-12-11-16(5)13-17-9-7-6-8-10-17/h6-10,14-16,19H,11-13H2,1-5H3.
What are the key properties of (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane?
(3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane has a molecular weight of 278.51 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylbutoxy)-di(propan-2-yl)silane is sourced from PubChem (CID 174463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).