(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate

C14H23O3- — CID 91972290

IUPAC(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate
SMILESCC/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C14H24O3/c1-3-5-6-7-10-8-11(10)9-13(15)12(4-2)14(16)17/h5-6,10-13,15H,3-4,7-9H2,1-2H3,(H,16,17)/p-1/b6-5-/t10?,11?,12-,13-/m1/s1
InChIKeyDQLJWDPIMMGMIA-QDUWNOHVSA-M
MW239.34 g/mol
LogP1.51
Rot. Bonds8

About (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate

(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate (PubChem CID 91972290) has the molecular formula C14H23O3- and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate
PubChem CID91972290
Molecular FormulaC14H23O3-
Molecular Weight239.34 g/mol
Exact Mass239.17
IUPAC Name(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate
SMILESCC/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-]
InChIInChI=1S/C14H24O3/c1-3-5-6-7-10-8-11(10)9-13(15)12(4-2)14(16)17/h5-6,10-13,15H,3-4,7-9H2,1-2H3,(H,16,17)/p-1/b6-5-/t10?,11?,12-,13-/m1/s1
InChIKeyDQLJWDPIMMGMIA-QDUWNOHVSA-M
XLogP1.51
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate?
The IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate (CID 91972290) is (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate.
What is the SMILES notation for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate?
The canonical SMILES for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate is CC/C=C\CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-].
What is the InChIKey of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate?
The InChIKey is DQLJWDPIMMGMIA-QDUWNOHVSA-M. The full InChI is InChI=1S/C14H24O3/c1-3-5-6-7-10-8-11(10)9-13(15)12(4-2)14(16)17/h5-6,10-13,15H,3-4,7-9H2,1-2H3,(H,16,17)/p-1/b6-5-/t10?,11?,12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate?
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate has a molecular weight of 239.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoate is sourced from PubChem (CID 91972290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).