(3R)-3-hydroxyhept-6-enoic acid

C7H12O3 — CID 55300313

IUPAC(3R)-3-hydroxyhept-6-enoic acid
SMILESC=CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2,6,8H,1,3-5H2,(H,9,10)/t6-/m1/s1
InChIKeyLHJDKXLKQBJHIW-ZCFIWIBFSA-N
MW144.17 g/mol
LogP0.79
Rot. Bonds5

About (3R)-3-hydroxyhept-6-enoic acid

(3R)-3-hydroxyhept-6-enoic acid (PubChem CID 55300313) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-3-hydroxyhept-6-enoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxyhept-6-enoic acid
PubChem CID55300313
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R)-3-hydroxyhept-6-enoic acid
SMILESC=CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2,6,8H,1,3-5H2,(H,9,10)/t6-/m1/s1
InChIKeyLHJDKXLKQBJHIW-ZCFIWIBFSA-N
XLogP0.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-7-octenoic acid
CID 129243
3-Hydroxy-6-octenoic acid
CID 6438595
Methyl (3R)-3-hydroxy-5-hexenoate
CID 14110569
Methyl 3-hydroxyhept-6-enoate
CID 13093092
3-Hydroxy-5-hexenoic acid
CID 14110570
3-Hydroxyhept-6-enoic acid
CID 14924161
3-Hydroxy-2-methylhept-6-enoic acid
CID 14924162
3,5-Dihydroxy-6-heptenoic acid
CID 17926224
3-Hydroxy-8-nonenoic acid
CID 18916253
3-Hydroxy-9-decenoic acid
CID 19010677
3-Hydroxy-10-undecenoic acid
CID 19966374
(r)-3-Hydroxy-8-nonenoic acid
CID 54519770

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxyhept-6-enoic acid?
The IUPAC name of (3R)-3-hydroxyhept-6-enoic acid (CID 55300313) is (3R)-3-hydroxyhept-6-enoic acid.
What is the SMILES notation for (3R)-3-hydroxyhept-6-enoic acid?
The canonical SMILES for (3R)-3-hydroxyhept-6-enoic acid is C=CCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxyhept-6-enoic acid?
The InChIKey is LHJDKXLKQBJHIW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2,6,8H,1,3-5H2,(H,9,10)/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxyhept-6-enoic acid?
(3R)-3-hydroxyhept-6-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxyhept-6-enoic acid is sourced from PubChem (CID 55300313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).