dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane

C12H18Cl2OSi — CID 101022567

IUPACdichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane
SMILESCC[C@H](C)C[Si](Cl)(Cl)c1cccc(OC)c1
InChIInChI=1S/C12H18Cl2OSi/c1-4-10(2)9-16(13,14)12-7-5-6-11(8-12)15-3/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFPXHFYFIPVAEOT-JTQLQIEISA-N
MW277.27 g/mol
LogP3.87
Rot. Bonds5

About dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane

dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane (PubChem CID 101022567) has the molecular formula C12H18Cl2OSi and a molecular weight of 277.27 g/mol. Its IUPAC name is dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane.

Molecular Properties

Compound Namedichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane
PubChem CID101022567
Molecular FormulaC12H18Cl2OSi
Molecular Weight277.27 g/mol
Exact Mass276.05
IUPAC Namedichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane
SMILESCC[C@H](C)C[Si](Cl)(Cl)c1cccc(OC)c1
InChIInChI=1S/C12H18Cl2OSi/c1-4-10(2)9-16(13,14)12-7-5-6-11(8-12)15-3/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFPXHFYFIPVAEOT-JTQLQIEISA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3-methoxyphenyl)-trimethylsilane
CID 2760824
hydroxy-tris(3-methoxyphenyl)silane
CID 153323712
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CID 135086983
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
(3-methoxyphenyl)-dimethyl-trimethylsilylsilane
CID 121007140
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-[2-(bromomethyl)-4-methylhexyl]-3-methoxybenzene
CID 66043341
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383

Frequently Asked Questions

What is the IUPAC name of dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane?
The IUPAC name of dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane (CID 101022567) is dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane.
What is the SMILES notation for dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane?
The canonical SMILES for dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane is CC[C@H](C)C[Si](Cl)(Cl)c1cccc(OC)c1.
What is the InChIKey of dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane?
The InChIKey is FPXHFYFIPVAEOT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18Cl2OSi/c1-4-10(2)9-16(13,14)12-7-5-6-11(8-12)15-3/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane?
dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane has a molecular weight of 277.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-methoxyphenyl)-[(2S)-2-methylbutyl]silane is sourced from PubChem (CID 101022567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).