1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

C16H30O3 — CID 23560894

IUPAC1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCO2)C1
InChIInChI=1S/C16H30O3/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16/h12-17H,3-11H2,1-2H3
InChIKeyHFRPMHOLDLSOCJ-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.35
Rot. Bonds7

About 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol

1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (PubChem CID 23560894) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
PubChem CID23560894
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCO2)C1
InChIInChI=1S/C16H30O3/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16/h12-17H,3-11H2,1-2H3
InChIKeyHFRPMHOLDLSOCJ-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,4-Diethylcyclopentyl)propyl]-1,3-dioxolane
CID 23560951
(1r,3r,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143308
(1r,3r,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143309
(1r,3s,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143310
(1r,3s,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143311
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 10267037
4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328891
Actinium;1-(2,4-diethyl-1-methylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-1-ol
CID 23399635
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)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560886

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol (CID 23560894) is 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is CCC1CC(CC)C(CC(O)CCC2OCCO2)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
The InChIKey is HFRPMHOLDLSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-12-9-13(4-2)14(10-12)11-15(17)5-6-16-18-7-8-19-16/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol?
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol has a molecular weight of 270.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol is sourced from PubChem (CID 23560894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).