2-hydroxy-3-propylhept-2-enoic acid

C10H18O3 — CID 173086337

IUPAC2-hydroxy-3-propylhept-2-enoic acid
SMILESCCCCC(CCC)=C(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-7-8(6-4-2)9(11)10(12)13/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyWFXPNFMKLRDTFH-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.87
Rot. Bonds6

About 2-hydroxy-3-propylhept-2-enoic acid

2-hydroxy-3-propylhept-2-enoic acid (PubChem CID 173086337) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxy-3-propylhept-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-3-propylhept-2-enoic acid
PubChem CID173086337
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxy-3-propylhept-2-enoic acid
SMILESCCCCC(CCC)=C(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-7-8(6-4-2)9(11)10(12)13/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyWFXPNFMKLRDTFH-UHFFFAOYSA-N
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-nonan-5-ylidenebutanedioic acid
CID 54018496
copper;2-oxohexanoic acid
CID 88811226
oxalic acid;pentane
CID 158926498
3-methylhept-2-en-2-ol
CID 73309482
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
butanoic acid;octakis(hexane)
CID 173316169
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
butanoic acid;pentane
CID 87072992
butanoic acid;hexane
CID 173374540
pentanoic acid;stannane
CID 173249748

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propylhept-2-enoic acid?
The IUPAC name of 2-hydroxy-3-propylhept-2-enoic acid (CID 173086337) is 2-hydroxy-3-propylhept-2-enoic acid.
What is the SMILES notation for 2-hydroxy-3-propylhept-2-enoic acid?
The canonical SMILES for 2-hydroxy-3-propylhept-2-enoic acid is CCCCC(CCC)=C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-propylhept-2-enoic acid?
The InChIKey is WFXPNFMKLRDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-7-8(6-4-2)9(11)10(12)13/h11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-3-propylhept-2-enoic acid?
2-hydroxy-3-propylhept-2-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propylhept-2-enoic acid is sourced from PubChem (CID 173086337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).