(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane

C16H32O3 — CID 72710084

IUPAC(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
SMILESCCOC(COCC[C@@H]1CCC(C)C1(C)C)OCC
InChIInChI=1S/C16H32O3/c1-6-18-15(19-7-2)12-17-11-10-14-9-8-13(3)16(14,4)5/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyFEQRBLSSDAWVGV-KZUDCZAMSA-N
MW272.43 g/mol
LogP3.86
Rot. Bonds9

About (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane

(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane (PubChem CID 72710084) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane.

Molecular Properties

Compound Name(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
PubChem CID72710084
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
SMILESCCOC(COCC[C@@H]1CCC(C)C1(C)C)OCC
InChIInChI=1S/C16H32O3/c1-6-18-15(19-7-2)12-17-11-10-14-9-8-13(3)16(14,4)5/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyFEQRBLSSDAWVGV-KZUDCZAMSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
2-(6,6-Diethoxy-3-ethylhexyl)-1,1,5-trimethylcyclopentane
CID 25004186
(2R)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane
CID 72710088
(3R)-3-[2-(2,2-diethoxyethoxy)ethyl]-1,2,2-trimethylbicyclo[3.1.0]hexane
CID 72710168
2-[(1S,4R,5R,6S)-4,7,7-trimethyl-6-bicyclo[3.2.0]heptanyl]-1,3-dioxolane
CID 24881905
trans-(1R,3S)-3-(iodomethyl)-1-(2-methoxyethoxymethoxymethyl)-1,2,2-trimethylcyclopentane
CID 134896373
1-[2-[1,2,2-Tris(2-octyldodecyl)cyclopentyl]ethoxy]ethanol
CID 18757675
1-(2,4-Diethyl-1-methylcyclopentyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23399637
Actinium;6-(2,4-diethyl-1-methylcyclopentyl)-1-(1,3-dioxolan-2-yl)hexan-3-ol
CID 23399638
2-[2-(2,4-Diethylcyclopentyl)ethyl]-1,3-dioxolane
CID 23560935
2-(2,4-Diethylcyclopentyl)-1,3-dioxolane
CID 23560939
2-[(2,4-Diethylcyclopentyl)methyl]-1,3-dioxolane
CID 23560941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane?
The IUPAC name of (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane (CID 72710084) is (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane.
What is the SMILES notation for (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane?
The canonical SMILES for (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane is CCOC(COCC[C@@H]1CCC(C)C1(C)C)OCC.
What is the InChIKey of (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane?
The InChIKey is FEQRBLSSDAWVGV-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H32O3/c1-6-18-15(19-7-2)12-17-11-10-14-9-8-13(3)16(14,4)5/h13-15H,6-12H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane?
(2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane has a molecular weight of 272.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,2-diethoxyethoxy)ethyl]-1,1,5-trimethylcyclopentane is sourced from PubChem (CID 72710084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).