1-(oxolan-2-yl)octane-4,5-diol

C12H24O3 — CID 103454832

IUPAC1-(oxolan-2-yl)octane-4,5-diol
SMILESCCCC(O)C(O)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-2-5-11(13)12(14)8-3-6-10-7-4-9-15-10/h10-14H,2-9H2,1H3
InChIKeyKAGDEDKLEOBWEE-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.86
Rot. Bonds7

About 1-(oxolan-2-yl)octane-4,5-diol

1-(oxolan-2-yl)octane-4,5-diol (PubChem CID 103454832) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(oxolan-2-yl)octane-4,5-diol.

Molecular Properties

Compound Name1-(oxolan-2-yl)octane-4,5-diol
PubChem CID103454832
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-(oxolan-2-yl)octane-4,5-diol
SMILESCCCC(O)C(O)CCCC1CCCO1
InChIInChI=1S/C12H24O3/c1-2-5-11(13)12(14)8-3-6-10-7-4-9-15-10/h10-14H,2-9H2,1H3
InChIKeyKAGDEDKLEOBWEE-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
4-methoxy-1-(oxolan-2-yl)heptan-3-ol
CID 116711704
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
2-tetradecyloxolane
CID 10683364
4-(oxolan-2-ylmethyl)hexadecan-5-ol
CID 171637766
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)octane-4,5-diol?
The IUPAC name of 1-(oxolan-2-yl)octane-4,5-diol (CID 103454832) is 1-(oxolan-2-yl)octane-4,5-diol.
What is the SMILES notation for 1-(oxolan-2-yl)octane-4,5-diol?
The canonical SMILES for 1-(oxolan-2-yl)octane-4,5-diol is CCCC(O)C(O)CCCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)octane-4,5-diol?
The InChIKey is KAGDEDKLEOBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-5-11(13)12(14)8-3-6-10-7-4-9-15-10/h10-14H,2-9H2,1H3.
What are the key properties of 1-(oxolan-2-yl)octane-4,5-diol?
1-(oxolan-2-yl)octane-4,5-diol has a molecular weight of 216.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)octane-4,5-diol is sourced from PubChem (CID 103454832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).