2-hydroxy-7-propoxyhept-3-enoic acid

C10H18O4 — CID 91206766

IUPAC2-hydroxy-7-propoxyhept-3-enoic acid
SMILESCCCOCCCC=CC(O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-7-14-8-5-3-4-6-9(11)10(12)13/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyGTLMBEWNJSRZQR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.19
Rot. Bonds8

About 2-hydroxy-7-propoxyhept-3-enoic acid

2-hydroxy-7-propoxyhept-3-enoic acid (PubChem CID 91206766) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-hydroxy-7-propoxyhept-3-enoic acid.

Molecular Properties

Compound Name2-hydroxy-7-propoxyhept-3-enoic acid
PubChem CID91206766
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-hydroxy-7-propoxyhept-3-enoic acid
SMILESCCCOCCCC=CC(O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-7-14-8-5-3-4-6-9(11)10(12)13/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyGTLMBEWNJSRZQR-UHFFFAOYSA-N
XLogP1.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenyl lactate, (3Z)-
CID 5364231
[(E)-oct-3-enyl] 2-hydroxybutanoate
CID 71460897
[(Z)-oct-3-enyl] 2-hydroxybutanoate
CID 71462591
[(E)-oct-4-enyl] 2-hydroxybutanoate
CID 71462592
(E)-hex-2-enyl lactate
CID 6366079
[(Z)-oct-4-enyl] 2-hydroxybutanoate
CID 71457233
2-Hydroxypent-3-enoic acid
CID 13536808
Dendrodolide G
CID 139585365
Dendrodolide F
CID 139587617
trans-2-Hexenyl lactate
CID 3020789
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
CID 44149409
Amphidinolactone A
CID 16719737

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-propoxyhept-3-enoic acid?
The IUPAC name of 2-hydroxy-7-propoxyhept-3-enoic acid (CID 91206766) is 2-hydroxy-7-propoxyhept-3-enoic acid.
What is the SMILES notation for 2-hydroxy-7-propoxyhept-3-enoic acid?
The canonical SMILES for 2-hydroxy-7-propoxyhept-3-enoic acid is CCCOCCCC=CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-7-propoxyhept-3-enoic acid?
The InChIKey is GTLMBEWNJSRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-7-14-8-5-3-4-6-9(11)10(12)13/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-7-propoxyhept-3-enoic acid?
2-hydroxy-7-propoxyhept-3-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-propoxyhept-3-enoic acid is sourced from PubChem (CID 91206766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).