tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane

C38H64O2Si2 — CID 172789288

IUPACtributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C38H64O2Si2/c1-7-13-27-41(28-14-8-2,29-15-9-3)39-37-35-25-21-19-23-33(35)34-24-20-22-26-36(34)38(37)40-42(30-16-10-4,31-17-11-5)32-18-12-6/h19-26,37-38H,7-18,27-32H2,1-6H3/t37-,38-/m1/s1
InChIKeyPILJBECMMDQIIY-XPSQVAKYSA-N
MW609.10 g/mol
LogP13.17
Rot. Bonds22

About tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane

tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane (PubChem CID 172789288) has the molecular formula C38H64O2Si2 and a molecular weight of 609.10 g/mol. Its IUPAC name is tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane.

Molecular Properties

Compound Nametributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane
PubChem CID172789288
Molecular FormulaC38H64O2Si2
Molecular Weight609.10 g/mol
Exact Mass608.44
IUPAC Nametributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C38H64O2Si2/c1-7-13-27-41(28-14-8-2,29-15-9-3)39-37-35-25-21-19-23-33(35)34-24-20-22-26-36(34)38(37)40-42(30-16-10-4,31-17-11-5)32-18-12-6/h19-26,37-38H,7-18,27-32H2,1-6H3/t37-,38-/m1/s1
InChIKeyPILJBECMMDQIIY-XPSQVAKYSA-N
XLogP13.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.10
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane with MolForge

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Related Compounds

9-nonyl-9H-fluorene
CID 22568532
9-pentoxy-9H-fluorene
CID 175299691
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
butyl-(3,5-dimethylphenyl)-(9H-fluoren-9-yl)-methylsilane
CID 88850697
butyl-dimethyl-(9H-xanthen-9-yloxy)silane
CID 70114152
N-butyl-N-methyl-9H-fluoren-9-amine
CID 14340271
butyl-[[1-[butyl(dimethyl)silyl]oxy-1H-inden-2-yl]oxy]-dimethylsilane
CID 91131529
9-hexan-2-yloxy-9H-fluorene
CID 126552429
lithium 9-ethyl-9H-fluorene
CID 23225742
9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
CID 158408156
4-butyl-4H-phthalazin-1-one
CID 67689595
5-butyltetracyclo[10.4.0.02,4.06,11]hexadeca-1(16),6,8,10,12,14-hexaene
CID 123231188

Frequently Asked Questions

What is the IUPAC name of tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane?
The IUPAC name of tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane (CID 172789288) is tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane.
What is the SMILES notation for tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane?
The canonical SMILES for tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane is CCCC[Si](CCCC)(CCCC)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane?
The InChIKey is PILJBECMMDQIIY-XPSQVAKYSA-N. The full InChI is InChI=1S/C38H64O2Si2/c1-7-13-27-41(28-14-8-2,29-15-9-3)39-37-35-25-21-19-23-33(35)34-24-20-22-26-36(34)38(37)40-42(30-16-10-4,31-17-11-5)32-18-12-6/h19-26,37-38H,7-18,27-32H2,1-6H3/t37-,38-/m1/s1.
What are the key properties of tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane?
tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane has a molecular weight of 609.10 g/mol, XLogP of 13.17, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(9R,10R)-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane is sourced from PubChem (CID 172789288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).