3-hydroxypentanoic acid;methanol

C6H14O4 — CID 174973747

IUPAC3-hydroxypentanoic acid;methanol
SMILESCCC(O)CC(=O)O.CO
InChIInChI=1S/C5H10O3.CH4O/c1-2-4(6)3-5(7)8;1-2/h4,6H,2-3H2,1H3,(H,7,8);2H,1H3
InChIKeyFJCIWBNPNLKXAU-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.16
Rot. Bonds3

About 3-hydroxypentanoic acid;methanol

3-hydroxypentanoic acid;methanol (PubChem CID 174973747) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-hydroxypentanoic acid;methanol.

Molecular Properties

Compound Name3-hydroxypentanoic acid;methanol
PubChem CID174973747
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-hydroxypentanoic acid;methanol
SMILESCCC(O)CC(=O)O.CO
InChIInChI=1S/C5H10O3.CH4O/c1-2-4(6)3-5(7)8;1-2/h4,6H,2-3H2,1H3,(H,7,8);2H,1H3
InChIKeyFJCIWBNPNLKXAU-UHFFFAOYSA-N
XLogP-0.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
2-hydroxypentanoic acid;3-hydroxypentanoic acid
CID 158404048
3-hydroxypentanoic acid;phthalic acid
CID 68926664
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
5-hydroxy-3-methylheptanoic acid
CID 143025483
3-hydroxyhexanoic acid;methane
CID 175209406
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
(Z)-4,6-dihydroxyoct-3-en-2-one
CID 23542538
3-hydroxyoctanoic acid
CID 159718411
3-hydroxypentanamide;hydrochloride
CID 174591125
3-(dihydroxymethyl)pentanoic acid
CID 87108659
magnesium bis(3-hydroxypentanoate)
CID 164775085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentanoic acid;methanol?
The IUPAC name of 3-hydroxypentanoic acid;methanol (CID 174973747) is 3-hydroxypentanoic acid;methanol.
What is the SMILES notation for 3-hydroxypentanoic acid;methanol?
The canonical SMILES for 3-hydroxypentanoic acid;methanol is CCC(O)CC(=O)O.CO.
What is the InChIKey of 3-hydroxypentanoic acid;methanol?
The InChIKey is FJCIWBNPNLKXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.CH4O/c1-2-4(6)3-5(7)8;1-2/h4,6H,2-3H2,1H3,(H,7,8);2H,1H3.
What are the key properties of 3-hydroxypentanoic acid;methanol?
3-hydroxypentanoic acid;methanol has a molecular weight of 150.17 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanoic acid;methanol is sourced from PubChem (CID 174973747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).