2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol

C21H42O2 — CID 71047328

IUPAC2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol
SMILESCC[C@@H]1CC(OC(O)C(C)(CC)CC(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C21H42O2/c1-11-15-13-16(20(8,9)19(15,6)7)23-17(22)21(10,12-2)14-18(3,4)5/h15-17,22H,11-14H2,1-10H3/t15-,16?,17?,21?/m1/s1
InChIKeyYZDLJQPIEGTQSJ-VUWNAFDESA-N
MW326.57 g/mol
LogP6.02
Rot. Bonds6

About 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol

2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol (PubChem CID 71047328) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol
PubChem CID71047328
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol
SMILESCC[C@@H]1CC(OC(O)C(C)(CC)CC(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C21H42O2/c1-11-15-13-16(20(8,9)19(15,6)7)23-17(22)21(10,12-2)14-18(3,4)5/h15-17,22H,11-14H2,1-10H3/t15-,16?,17?,21?/m1/s1
InChIKeyYZDLJQPIEGTQSJ-VUWNAFDESA-N
XLogP6.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethoxy-2-[1,2,2-tris(2-octyldodecyl)cyclopentyl]ethanol
CID 17855135
1-[2-[1,2,2-Tris(2-octyldodecyl)cyclopentyl]ethoxy]ethanol
CID 18757675
4-[3-(2,3-dimethylbutan-2-yl)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328906
2-(7,7-Diethoxyheptyl)-3-hexylcyclopentan-1-ol
CID 23220321
1-(2,4-Diethyl-1-methylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23399634
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
1-(2,4-Diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
CID 23560896
Actinium;1-(2,4-diethylcyclopentyl)-5-(1,3-dioxan-2-yl)pentan-1-ol
CID 23560897
1-(2-Ethyl-2,3,3,4-tetramethylcyclopentyl)oxyethanol
CID 68065590
1-[[2-(Hydroxymethyl)-3-(2-methylpropyl)-5-propan-2-ylcyclopentyl]methoxy]ethanol
CID 68240788
4-[(3,5-Diethyl-2-methylcyclopentyl)methyl]-4-ethyloxolan-2-ol
CID 70950588

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol?
The IUPAC name of 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol (CID 71047328) is 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol?
The canonical SMILES for 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol is CC[C@@H]1CC(OC(O)C(C)(CC)CC(C)(C)C)C(C)(C)C1(C)C.
What is the InChIKey of 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol?
The InChIKey is YZDLJQPIEGTQSJ-VUWNAFDESA-N. The full InChI is InChI=1S/C21H42O2/c1-11-15-13-16(20(8,9)19(15,6)7)23-17(22)21(10,12-2)14-18(3,4)5/h15-17,22H,11-14H2,1-10H3/t15-,16?,17?,21?/m1/s1.
What are the key properties of 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol?
2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol has a molecular weight of 326.57 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4R)-4-ethyl-2,2,3,3-tetramethylcyclopentyl]oxy-2,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 71047328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).