(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane

C16H28OSi — CID 123380319

IUPAC(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
SMILESCOc1c(C(C)(C)C)cc([SiH2]C)cc1C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-15(2,3)12-9-11(18-8)10-13(14(12)17-7)16(4,5)6/h9-10H,18H2,1-8H3
InChIKeyRJVOSGYSRABHKE-UHFFFAOYSA-N
MW264.48 g/mol
LogP3.13
Rot. Bonds2

About (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane

(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane (PubChem CID 123380319) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
PubChem CID123380319
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
SMILESCOc1c(C(C)(C)C)cc([SiH2]C)cc1C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-15(2,3)12-9-11(18-8)10-13(14(12)17-7)16(4,5)6/h9-10H,18H2,1-8H3
InChIKeyRJVOSGYSRABHKE-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 53.13
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

(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
CID 70140823
CID 58741303
CID 58741303
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
3-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylpropyl-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
CID 18324360
azanium 3,5-ditert-butyl-4-methoxybenzenesulfonate
CID 168869499
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane?
The IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane (CID 123380319) is (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane.
What is the SMILES notation for (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane?
The canonical SMILES for (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane is COc1c(C(C)(C)C)cc([SiH2]C)cc1C(C)(C)C.
What is the InChIKey of (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane?
The InChIKey is RJVOSGYSRABHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-15(2,3)12-9-11(18-8)10-13(14(12)17-7)16(4,5)6/h9-10H,18H2,1-8H3.
What are the key properties of (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane?
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane has a molecular weight of 264.48 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-methoxyphenyl)-methylsilane is sourced from PubChem (CID 123380319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).