(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane

C15H25ClO2Si — CID 139965190

IUPAC(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
SMILESCOc1cc(C[Si](C)(C)Cl)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25ClO2Si/c1-15(2,3)13-9-12(17-4)8-11(14(13)18-5)10-19(6,7)16/h8-9H,10H2,1-7H3
InChIKeyFSMCBXHNRSIOKM-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.53
Rot. Bonds4

About (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane

(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane (PubChem CID 139965190) has the molecular formula C15H25ClO2Si and a molecular weight of 300.90 g/mol. Its IUPAC name is (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
PubChem CID139965190
Molecular FormulaC15H25ClO2Si
Molecular Weight300.90 g/mol
Exact Mass300.13
IUPAC Name(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
SMILESCOc1cc(C[Si](C)(C)Cl)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25ClO2Si/c1-15(2,3)13-9-12(17-4)8-11(14(13)18-5)10-19(6,7)16/h8-9H,10H2,1-7H3
InChIKeyFSMCBXHNRSIOKM-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
2-amino-3-(3-tert-butyl-2,5-dimethoxyphenyl)propanoic acid
CID 117451563
1-tert-butyl-2,5-dimethoxy-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965018
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
CID 18347391
2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
CID 132609953
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene
CID 139965056

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane?
The IUPAC name of (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane (CID 139965190) is (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane?
The canonical SMILES for (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane is COc1cc(C[Si](C)(C)Cl)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane?
The InChIKey is FSMCBXHNRSIOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si/c1-15(2,3)13-9-12(17-4)8-11(14(13)18-5)10-19(6,7)16/h8-9H,10H2,1-7H3.
What are the key properties of (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane?
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane has a molecular weight of 300.90 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane is sourced from PubChem (CID 139965190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).