3-hydroxypentanoic acid;propa-1,2-diene

C8H14O3 — CID 174838105

IUPAC3-hydroxypentanoic acid;propa-1,2-diene
SMILESC=C=C.CCC(O)CC(=O)O
InChIInChI=1S/C5H10O3.C3H4/c1-2-4(6)3-5(7)8;1-3-2/h4,6H,2-3H2,1H3,(H,7,8);1-2H2
InChIKeyDRNGVCTUHZAEKX-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.19
Rot. Bonds3

About 3-hydroxypentanoic acid;propa-1,2-diene

3-hydroxypentanoic acid;propa-1,2-diene (PubChem CID 174838105) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-hydroxypentanoic acid;propa-1,2-diene.

Molecular Properties

Compound Name3-hydroxypentanoic acid;propa-1,2-diene
PubChem CID174838105
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-hydroxypentanoic acid;propa-1,2-diene
SMILESC=C=C.CCC(O)CC(=O)O
InChIInChI=1S/C5H10O3.C3H4/c1-2-4(6)3-5(7)8;1-3-2/h4,6H,2-3H2,1H3,(H,7,8);1-2H2
InChIKeyDRNGVCTUHZAEKX-UHFFFAOYSA-N
XLogP1.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174973747
2-hydroxypentanoic acid;3-hydroxypentanoic acid
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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
acetic acid;(3R)-5-ethenylidenenonan-3-ol
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(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
magnesium bis(3-hydroxypentanoate)
CID 164775085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentanoic acid;propa-1,2-diene?
The IUPAC name of 3-hydroxypentanoic acid;propa-1,2-diene (CID 174838105) is 3-hydroxypentanoic acid;propa-1,2-diene.
What is the SMILES notation for 3-hydroxypentanoic acid;propa-1,2-diene?
The canonical SMILES for 3-hydroxypentanoic acid;propa-1,2-diene is C=C=C.CCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxypentanoic acid;propa-1,2-diene?
The InChIKey is DRNGVCTUHZAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H4/c1-2-4(6)3-5(7)8;1-3-2/h4,6H,2-3H2,1H3,(H,7,8);1-2H2.
What are the key properties of 3-hydroxypentanoic acid;propa-1,2-diene?
3-hydroxypentanoic acid;propa-1,2-diene has a molecular weight of 158.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanoic acid;propa-1,2-diene is sourced from PubChem (CID 174838105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).