(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid

C11H18O5 — CID 90796655

IUPAC(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid
SMILESCOC(=O)C[C@](O)(CCC=C(C)C)C(=O)O
InChIInChI=1S/C11H18O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h5,15H,4,6-7H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyNKMCHVMAKQPPEK-LLVKDONJSA-N
MW230.26 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid

(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid (PubChem CID 90796655) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid
PubChem CID90796655
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid
SMILESCOC(=O)C[C@](O)(CCC=C(C)C)C(=O)O
InChIInChI=1S/C11H18O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h5,15H,4,6-7H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyNKMCHVMAKQPPEK-LLVKDONJSA-N
XLogP1.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid?
The IUPAC name of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid (CID 90796655) is (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid is COC(=O)C[C@](O)(CCC=C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid?
The InChIKey is NKMCHVMAKQPPEK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O5/c1-8(2)5-4-6-11(15,10(13)14)7-9(12)16-3/h5,15H,4,6-7H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid?
(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-5-enoic acid is sourced from PubChem (CID 90796655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).