trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane

C18H34O6Si2 — CID 124671488

IUPACtrimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane
SMILESCC[C@@H](c1cccc([C@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC
InChIInChI=1S/C18H34O6Si2/c1-9-17(25(19-3,20-4)21-5)15-12-11-13-16(14-15)18(10-2)26(22-6,23-7)24-8/h11-14,17-18H,9-10H2,1-8H3/t17-,18-/m0/s1
InChIKeyQBJCTMPFQNLSMC-ROUUACIJSA-N
MW402.64 g/mol
LogP3.51
Rot. Bonds12

About trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane

trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane (PubChem CID 124671488) has the molecular formula C18H34O6Si2 and a molecular weight of 402.64 g/mol. Its IUPAC name is trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane
PubChem CID124671488
Molecular FormulaC18H34O6Si2
Molecular Weight402.64 g/mol
Exact Mass402.19
IUPAC Nametrimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane
SMILESCC[C@@H](c1cccc([C@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC
InChIInChI=1S/C18H34O6Si2/c1-9-17(25(19-3,20-4)21-5)15-12-11-13-16(14-15)18(10-2)26(22-6,23-7)24-8/h11-14,17-18H,9-10H2,1-8H3/t17-,18-/m0/s1
InChIKeyQBJCTMPFQNLSMC-ROUUACIJSA-N
XLogP3.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane
CID 159216631
N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
CID 70188809
triethoxy-[1-(3-methylphenyl)ethyl]silane
CID 139239900
acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane
CID 160570428
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
[(4S)-4-methoxyhexan-2-yl]benzene
CID 166439539
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane?
The IUPAC name of trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane (CID 124671488) is trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane.
What is the SMILES notation for trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane?
The canonical SMILES for trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane is CC[C@@H](c1cccc([C@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane?
The InChIKey is QBJCTMPFQNLSMC-ROUUACIJSA-N. The full InChI is InChI=1S/C18H34O6Si2/c1-9-17(25(19-3,20-4)21-5)15-12-11-13-16(14-15)18(10-2)26(22-6,23-7)24-8/h11-14,17-18H,9-10H2,1-8H3/t17-,18-/m0/s1.
What are the key properties of trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane?
trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane has a molecular weight of 402.64 g/mol, XLogP of 3.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[(1S)-1-[3-[(1S)-1-trimethoxysilylpropyl]phenyl]propyl]silane is sourced from PubChem (CID 124671488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).