(3S)-3-pent-4-enoxypentanoic acid

C10H18O3 — CID 90121275

IUPAC(3S)-3-pent-4-enoxypentanoic acid
SMILESC=CCCCO[C@@H](CC)CC(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-6-7-13-9(4-2)8-10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m0/s1
InChIKeyZUDQMNGAUXXJAR-VIFPVBQESA-N
MW186.25 g/mol
LogP2.22
Rot. Bonds8

About (3S)-3-pent-4-enoxypentanoic acid

(3S)-3-pent-4-enoxypentanoic acid (PubChem CID 90121275) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S)-3-pent-4-enoxypentanoic acid.

Molecular Properties

Compound Name(3S)-3-pent-4-enoxypentanoic acid
PubChem CID90121275
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3S)-3-pent-4-enoxypentanoic acid
SMILESC=CCCCO[C@@H](CC)CC(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-6-7-13-9(4-2)8-10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m0/s1
InChIKeyZUDQMNGAUXXJAR-VIFPVBQESA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-pent-4-enoxypentanoic acid?
The IUPAC name of (3S)-3-pent-4-enoxypentanoic acid (CID 90121275) is (3S)-3-pent-4-enoxypentanoic acid.
What is the SMILES notation for (3S)-3-pent-4-enoxypentanoic acid?
The canonical SMILES for (3S)-3-pent-4-enoxypentanoic acid is C=CCCCO[C@@H](CC)CC(=O)O.
What is the InChIKey of (3S)-3-pent-4-enoxypentanoic acid?
The InChIKey is ZUDQMNGAUXXJAR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-6-7-13-9(4-2)8-10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (3S)-3-pent-4-enoxypentanoic acid?
(3S)-3-pent-4-enoxypentanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pent-4-enoxypentanoic acid is sourced from PubChem (CID 90121275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).