(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane

C20H35ClOSi — CID 69041583

IUPAC(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane
SMILESCCCCCOc1c(C(C)(C)C)cc(C)cc1[Si](Cl)(CC)CC
InChIInChI=1S/C20H35ClOSi/c1-8-11-12-13-22-19-17(20(5,6)7)14-16(4)15-18(19)23(21,9-2)10-3/h14-15H,8-13H2,1-7H3
InChIKeyNPHSXMIXQNYSFL-UHFFFAOYSA-N
MW355.04 g/mol
LogP6.29
Rot. Bonds8

About (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane

(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane (PubChem CID 69041583) has the molecular formula C20H35ClOSi and a molecular weight of 355.04 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane
PubChem CID69041583
Molecular FormulaC20H35ClOSi
Molecular Weight355.04 g/mol
Exact Mass354.21
IUPAC Name(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane
SMILESCCCCCOc1c(C(C)(C)C)cc(C)cc1[Si](Cl)(CC)CC
InChIInChI=1S/C20H35ClOSi/c1-8-11-12-13-22-19-17(20(5,6)7)14-16(4)15-18(19)23(21,9-2)10-3/h14-15H,8-13H2,1-7H3
InChIKeyNPHSXMIXQNYSFL-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.04
LogP ≤ 56.29
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
CID 69230383
1,3-ditert-butyl-5-ethynyl-2-hexoxybenzene
CID 102036487
(2,6-ditert-butyl-4-methylphenoxy)-dihexylalumane
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bis(2,6-ditert-butyl-4-methylphenoxy)-hexylalumane
CID 141049928
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
3-tert-butyl-4-pentoxy-5-prop-2-enylbenzaldehyde
CID 54849966
(3,5-ditert-butyl-4-octadecoxyphenyl)methylphosphonic acid
CID 56619067
4-butoxy-2,5-ditert-butyl-3-methylphenol
CID 59123457
(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
CID 87556760
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane?
The IUPAC name of (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane (CID 69041583) is (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane.
What is the SMILES notation for (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane?
The canonical SMILES for (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane is CCCCCOc1c(C(C)(C)C)cc(C)cc1[Si](Cl)(CC)CC.
What is the InChIKey of (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane?
The InChIKey is NPHSXMIXQNYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35ClOSi/c1-8-11-12-13-22-19-17(20(5,6)7)14-16(4)15-18(19)23(21,9-2)10-3/h14-15H,8-13H2,1-7H3.
What are the key properties of (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane?
(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane has a molecular weight of 355.04 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane is sourced from PubChem (CID 69041583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).