[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane

C15H29ClO2Si2 — CID 90435946

IUPAC[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=C(Cl)CCC=C1
InChIInChI=1S/C15H29ClO2Si2/c1-12(17-19(2,3)4)15(18-20(5,6)7)13-10-8-9-11-14(13)16/h8,10,12,15H,9,11H2,1-7H3/t12-,15+/m1/s1
InChIKeyHSZXSHGQSOCJMG-DOMZBBRYSA-N
MW333.02 g/mol
LogP5.29
Rot. Bonds6

About [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane

[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane (PubChem CID 90435946) has the molecular formula C15H29ClO2Si2 and a molecular weight of 333.02 g/mol. Its IUPAC name is [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
PubChem CID90435946
Molecular FormulaC15H29ClO2Si2
Molecular Weight333.02 g/mol
Exact Mass332.14
IUPAC Name[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=C(Cl)CCC=C1
InChIInChI=1S/C15H29ClO2Si2/c1-12(17-19(2,3)4)15(18-20(5,6)7)13-10-8-9-11-14(13)16/h8,10,12,15H,9,11H2,1-7H3/t12-,15+/m1/s1
InChIKeyHSZXSHGQSOCJMG-DOMZBBRYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.02
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane (CID 90435946) is [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane is C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=C(Cl)CCC=C1.
What is the InChIKey of [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
The InChIKey is HSZXSHGQSOCJMG-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H29ClO2Si2/c1-12(17-19(2,3)4)15(18-20(5,6)7)13-10-8-9-11-14(13)16/h8,10,12,15H,9,11H2,1-7H3/t12-,15+/m1/s1.
What are the key properties of [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane?
[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane has a molecular weight of 333.02 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 90435946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).