10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal

C31H60O3Si — CID 140956876

IUPAC10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCC=O)(CCCCCCCCCC=O)C1
InChIInChI=1S/C31H60O3Si/c1-30(2,3)35(4,5)34-29-22-25-31(28-29,23-18-14-10-6-8-12-16-20-26-32)24-19-15-11-7-9-13-17-21-27-33/h26-27,29H,6-25,28H2,1-5H3
InChIKeyKUEXFACXKDJSJB-UHFFFAOYSA-N
MW508.90 g/mol
LogP9.97
Rot. Bonds22

About 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal

10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal (PubChem CID 140956876) has the molecular formula C31H60O3Si and a molecular weight of 508.90 g/mol. Its IUPAC name is 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal.

Molecular Properties

Compound Name10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
PubChem CID140956876
Molecular FormulaC31H60O3Si
Molecular Weight508.90 g/mol
Exact Mass508.43
IUPAC Name10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCC=O)(CCCCCCCCCC=O)C1
InChIInChI=1S/C31H60O3Si/c1-30(2,3)35(4,5)34-29-22-25-31(28-29,23-18-14-10-6-8-12-16-20-26-32)24-19-15-11-7-9-13-17-21-27-33/h26-27,29H,6-25,28H2,1-5H3
InChIKeyKUEXFACXKDJSJB-UHFFFAOYSA-N
XLogP9.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.90
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
CID 140956897
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
9-[3-methyl-1-(9-oxononyl)cyclopentyl]nonanal
CID 161307908
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
CID 141208174
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
(5R)-5-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanal
CID 91309041
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
methyl 7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 12016389

Frequently Asked Questions

What is the IUPAC name of 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal?
The IUPAC name of 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal (CID 140956876) is 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal.
What is the SMILES notation for 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal?
The canonical SMILES for 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal is CC(C)(C)[Si](C)(C)OC1CCC(CCCCCCCCCC=O)(CCCCCCCCCC=O)C1.
What is the InChIKey of 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal?
The InChIKey is KUEXFACXKDJSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60O3Si/c1-30(2,3)35(4,5)34-29-22-25-31(28-29,23-18-14-10-6-8-12-16-20-26-32)24-19-15-11-7-9-13-17-21-27-33/h26-27,29H,6-25,28H2,1-5H3.
What are the key properties of 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal?
10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal has a molecular weight of 508.90 g/mol, XLogP of 9.97, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal is sourced from PubChem (CID 140956876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).