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

C17H32O3 — CID 23560891

IUPAC1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCCO2)C1
InChIInChI=1S/C17H32O3/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17/h13-18H,3-12H2,1-2H3
InChIKeyCMJQZIACUVMEMN-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.74
Rot. Bonds7

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

1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol (PubChem CID 23560891) 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-2-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
PubChem CID23560891
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC1CC(CC)C(CC(O)CCC2OCCCO2)C1
InChIInChI=1S/C17H32O3/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17/h13-18H,3-12H2,1-2H3
InChIKeyCMJQZIACUVMEMN-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

2-[2-(2,4-diethylcyclopentyl)ethyl]-1,3-dioxane
CID 23560934
actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
CID 23560940
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
CID 67160266
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
2-[2-(2,4-diethylcyclopentyl)ethyl]-2-methyl-1,3-dioxane
CID 23560936
2-[3-[2-(3,4-diethylcyclopentyl)ethyl]pent-4-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 171629175
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol (CID 23560891) is 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol is CCC1CC(CC)C(CC(O)CCC2OCCCO2)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The InChIKey is CMJQZIACUVMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-13-10-14(4-2)15(11-13)12-16(18)6-7-17-19-8-5-9-20-17/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-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-2-ol is sourced from PubChem (CID 23560891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).