3-(2-hydroxypentan-3-yloxy)pentan-2-ol

C10H22O3 — CID 138539314

IUPAC3-(2-hydroxypentan-3-yloxy)pentan-2-ol
SMILESCCC(OC(CC)C(C)O)C(C)O
InChIInChI=1S/C10H22O3/c1-5-9(7(3)11)13-10(6-2)8(4)12/h7-12H,5-6H2,1-4H3
InChIKeyILDGBCWMOBVMGT-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.32
Rot. Bonds6

About 3-(2-hydroxypentan-3-yloxy)pentan-2-ol

3-(2-hydroxypentan-3-yloxy)pentan-2-ol (PubChem CID 138539314) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3-(2-hydroxypentan-3-yloxy)pentan-2-ol.

Molecular Properties

Compound Name3-(2-hydroxypentan-3-yloxy)pentan-2-ol
PubChem CID138539314
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3-(2-hydroxypentan-3-yloxy)pentan-2-ol
SMILESCCC(OC(CC)C(C)O)C(C)O
InChIInChI=1S/C10H22O3/c1-5-9(7(3)11)13-10(6-2)8(4)12/h7-12H,5-6H2,1-4H3
InChIKeyILDGBCWMOBVMGT-UHFFFAOYSA-N
XLogP1.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
CID 88881367
3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
CID 57312737
(2S,3R)-3-methylpentan-2-ol
CID 6993006
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
3-(2-aminopentan-3-yloxy)pentan-2-amine
CID 175582089
benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane
CID 67743044
2-(3-hydroxy-1-pentan-3-yloxybutan-2-yl)oxypropane-1,1-diol
CID 138744605
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
4-methoxy-2-methylhexan-3-ol
CID 116710715
2-methylbutane;3-methylbutan-2-ol
CID 87553210
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypentan-3-yloxy)pentan-2-ol?
The IUPAC name of 3-(2-hydroxypentan-3-yloxy)pentan-2-ol (CID 138539314) is 3-(2-hydroxypentan-3-yloxy)pentan-2-ol.
What is the SMILES notation for 3-(2-hydroxypentan-3-yloxy)pentan-2-ol?
The canonical SMILES for 3-(2-hydroxypentan-3-yloxy)pentan-2-ol is CCC(OC(CC)C(C)O)C(C)O.
What is the InChIKey of 3-(2-hydroxypentan-3-yloxy)pentan-2-ol?
The InChIKey is ILDGBCWMOBVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-5-9(7(3)11)13-10(6-2)8(4)12/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-(2-hydroxypentan-3-yloxy)pentan-2-ol?
3-(2-hydroxypentan-3-yloxy)pentan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypentan-3-yloxy)pentan-2-ol is sourced from PubChem (CID 138539314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).