(3-tert-butylphenoxy)-tri(propan-2-yl)silane

C19H34OSi — CID 164678571

IUPAC(3-tert-butylphenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc(C(C)(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-11-17(13-18)19(7,8)9/h10-16H,1-9H3
InChIKeyVXIZRLPRGUQTAN-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.54
Rot. Bonds5

About (3-tert-butylphenoxy)-tri(propan-2-yl)silane

(3-tert-butylphenoxy)-tri(propan-2-yl)silane (PubChem CID 164678571) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is (3-tert-butylphenoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-tert-butylphenoxy)-tri(propan-2-yl)silane
PubChem CID164678571
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name(3-tert-butylphenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc(C(C)(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-11-17(13-18)19(7,8)9/h10-16H,1-9H3
InChIKeyVXIZRLPRGUQTAN-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.54
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

2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322
(3-cyclopentyloxyphenoxy)-tri(propan-2-yl)silane
CID 67996793
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
alumane;1,3-ditert-butylbenzene
CID 174392215
(3-tert-butylphenyl) N,N-dimethylsulfamate
CID 23557573
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
(3-tert-butylphenyl) 1-fluoroethyl carbonate
CID 67160680
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenoxy)-tri(propan-2-yl)silane?
The IUPAC name of (3-tert-butylphenoxy)-tri(propan-2-yl)silane (CID 164678571) is (3-tert-butylphenoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-tert-butylphenoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (3-tert-butylphenoxy)-tri(propan-2-yl)silane is CC(C)[Si](Oc1cccc(C(C)(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of (3-tert-butylphenoxy)-tri(propan-2-yl)silane?
The InChIKey is VXIZRLPRGUQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-11-17(13-18)19(7,8)9/h10-16H,1-9H3.
What are the key properties of (3-tert-butylphenoxy)-tri(propan-2-yl)silane?
(3-tert-butylphenoxy)-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 164678571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).