9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol

C29H60O3Si — CID 140956897

IUPAC9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCO)(CCCCCCCCCO)C1
InChIInChI=1S/C29H60O3Si/c1-28(2,3)33(4,5)32-27-20-23-29(26-27,21-16-12-8-6-10-14-18-24-30)22-17-13-9-7-11-15-19-25-31/h27,30-31H,6-26H2,1-5H3
InChIKeyZYFGGPCYKYPPDE-UHFFFAOYSA-N
MW484.88 g/mol
LogP8.77
Rot. Bonds20

About 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol

9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol (PubChem CID 140956897) has the molecular formula C29H60O3Si and a molecular weight of 484.88 g/mol. Its IUPAC name is 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol.

Molecular Properties

Compound Name9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
PubChem CID140956897
Molecular FormulaC29H60O3Si
Molecular Weight484.88 g/mol
Exact Mass484.43
IUPAC Name9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCO)(CCCCCCCCCO)C1
InChIInChI=1S/C29H60O3Si/c1-28(2,3)33(4,5)32-27-20-23-29(26-27,21-16-12-8-6-10-14-18-24-30)22-17-13-9-7-11-15-19-25-31/h27,30-31H,6-26H2,1-5H3
InChIKeyZYFGGPCYKYPPDE-UHFFFAOYSA-N
XLogP8.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
CID 140956876
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
CID 141208174
4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
CID 10427395
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488

Frequently Asked Questions

What is the IUPAC name of 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol?
The IUPAC name of 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol (CID 140956897) is 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol.
What is the SMILES notation for 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol?
The canonical SMILES for 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol is CC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCO)(CCCCCCCCCO)C1.
What is the InChIKey of 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol?
The InChIKey is ZYFGGPCYKYPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O3Si/c1-28(2,3)33(4,5)32-27-20-23-29(26-27,21-16-12-8-6-10-14-18-24-30)22-17-13-9-7-11-15-19-25-31/h27,30-31H,6-26H2,1-5H3.
What are the key properties of 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol?
9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol has a molecular weight of 484.88 g/mol, XLogP of 8.77, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol is sourced from PubChem (CID 140956897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).