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

C16H30O3 — CID 23560886

IUPAC1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCCO2)C1
InChIInChI=1S/C16H30O3/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16/h12-17H,3-11H2,1-2H3
InChIKeyVPSXWQLEIMJJJO-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.35
Rot. Bonds6

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

1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol (PubChem CID 23560886) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
PubChem CID23560886
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESCCC1CC(CC)C(C(O)CCC2OCCCO2)C1
InChIInChI=1S/C16H30O3/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16/h12-17H,3-11H2,1-2H3
InChIKeyVPSXWQLEIMJJJO-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(1R,4aS,6S,7R,7aS)-1-methoxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-ol
CID 71523873
2,6-Diheptyl-5-hexyl-1,3-dioxan-4-ol
CID 20365111
1-(2,4-Diethyl-1-methylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23399634
Actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
1-(2,4-Diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560888
Actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560889
1-(2,4-Diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
1-(2,4-Diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
Actinium;1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560892
1-(2,4-Diethylcyclopentyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560894
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol (CID 23560886) is 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol is CCC1CC(CC)C(C(O)CCC2OCCCO2)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The InChIKey is VPSXWQLEIMJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-12-10-13(4-2)14(11-12)15(17)6-7-16-18-8-5-9-19-16/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol is sourced from PubChem (CID 23560886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).