5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol

C11H24O6 — CID 90765548

IUPAC5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol
SMILESCC(O)CC(O)C(C(O)CO)C(O)CCCO
InChIInChI=1S/C11H24O6/c1-7(14)5-9(16)11(10(17)6-13)8(15)3-2-4-12/h7-17H,2-6H2,1H3
InChIKeyDEFAJSLBEHTKQS-UHFFFAOYSA-N
MW252.31 g/mol
LogP-1.78
Rot. Bonds9

About 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol

5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol (PubChem CID 90765548) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol
PubChem CID90765548
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol
SMILESCC(O)CC(O)C(C(O)CO)C(O)CCCO
InChIInChI=1S/C11H24O6/c1-7(14)5-9(16)11(10(17)6-13)8(15)3-2-4-12/h7-17H,2-6H2,1H3
InChIKeyDEFAJSLBEHTKQS-UHFFFAOYSA-N
XLogP-1.78
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.31
LogP ≤ 5-1.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 90970017
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CID 89087097
nonane-1,4,6,8-tetrol
CID 57099696
nonane-1,2,3,9-tetrol
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CID 90439739
dodecane-1,6,7,11-tetrol
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tridecane-1,4,5,13-tetrol
CID 57164237
butane-1,4-diol;ethane-1,2-diol;hexane-1,6-diol;propane-1,2-diol
CID 157231119
butane-1,3-diol;butane-1,4-diol
CID 18381145
(2S,4S,5S)-5-aminohexane-2,4-diol
CID 88882738
5,6-dimethylhept-6-ene-1,4-diol
CID 22323961

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol?
The IUPAC name of 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol (CID 90765548) is 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol?
The canonical SMILES for 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol is CC(O)CC(O)C(C(O)CO)C(O)CCCO.
What is the InChIKey of 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol?
The InChIKey is DEFAJSLBEHTKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6/c1-7(14)5-9(16)11(10(17)6-13)8(15)3-2-4-12/h7-17H,2-6H2,1H3.
What are the key properties of 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol?
5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol has a molecular weight of 252.31 g/mol, XLogP of -1.78, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol is sourced from PubChem (CID 90765548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).