3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol

C10H22O5 — CID 57312737

IUPAC3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
SMILESCCC(OC(CC)C(O)CO)C(O)CO
InChIInChI=1S/C10H22O5/c1-3-9(7(13)5-11)15-10(4-2)8(14)6-12/h7-14H,3-6H2,1-2H3
InChIKeyFFYXLNLXTMBCLL-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.73
Rot. Bonds8

About 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol

3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol (PubChem CID 57312737) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol.

Molecular Properties

Compound Name3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
PubChem CID57312737
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
SMILESCCC(OC(CC)C(O)CO)C(O)CO
InChIInChI=1S/C10H22O5/c1-3-9(7(13)5-11)15-10(4-2)8(14)6-12/h7-14H,3-6H2,1-2H3
InChIKeyFFYXLNLXTMBCLL-UHFFFAOYSA-N
XLogP-0.73
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
(2S,3S)-2-propan-2-yloxypentane-1,3-diol
CID 58078764
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
butane;butane-1,2,3,4-tetrol
CID 155273073
ethoxyethane;pentane-1,2,3-triol
CID 87302258
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
heptane-1,2,3,4,5-pentol
CID 21365644
3-propoxyhexane-1,2-diol
CID 90013661
(2S)-3-[(2S)-1-aminopropan-2-yl]oxybutane-1,2,4-triol
CID 89276164
(2R,3R)-3-propan-2-ylperoxybutane-1,2,4-triol
CID 174720199

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol?
The IUPAC name of 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol (CID 57312737) is 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol.
What is the SMILES notation for 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol?
The canonical SMILES for 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol is CCC(OC(CC)C(O)CO)C(O)CO.
What is the InChIKey of 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol?
The InChIKey is FFYXLNLXTMBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-3-9(7(13)5-11)15-10(4-2)8(14)6-12/h7-14H,3-6H2,1-2H3.
What are the key properties of 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol?
3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of -0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol is sourced from PubChem (CID 57312737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).