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

C17H32O3 — CID 23560890

IUPAC1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCC2OCCCO2)C1
InChIInChI=1S/C17H32O3/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-8-17-19-9-6-10-20-17/h13-18H,3-12H2,1-2H3
InChIKeyWAKRFWIBJLMCML-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.74
Rot. Bonds7

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

1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol (PubChem CID 23560890) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
PubChem CID23560890
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCC2OCCCO2)C1
InChIInChI=1S/C17H32O3/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-8-17-19-9-6-10-20-17/h13-18H,3-12H2,1-2H3
InChIKeyWAKRFWIBJLMCML-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
CID 23560934
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
CID 23560940
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560915
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
CID 10856576
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide
CID 57364810
3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine
CID 142644869
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
CID 23560936
actinium;bis(6-(2-bicyclo[2.2.1]hept-5-enyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(2-bicyclo[2.2.1]hept-5-enyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(3-(2-methyl-1,3-dioxan-2-yl)-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-1-ol)
CID 158508805

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol (CID 23560890) is 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol is CCC1CC(CC)C(C(O)CCCC2OCCCO2)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol?
The InChIKey is WAKRFWIBJLMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-13-11-14(4-2)15(12-13)16(18)7-5-8-17-19-9-6-10-20-17/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol?
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 3.74, 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-dioxan-2-yl)butan-1-ol is sourced from PubChem (CID 23560890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).