methyl (5R)-5-formyloxyhept-6-enoate

C9H14O4 — CID 174511231

IUPACmethyl (5R)-5-formyloxyhept-6-enoate
SMILESC=C[C@@H](CCCC(=O)OC)OC=O
InChIInChI=1S/C9H14O4/c1-3-8(13-7-10)5-4-6-9(11)12-2/h3,7-8H,1,4-6H2,2H3/t8-/m0/s1
InChIKeyGZTWFOFDRYTYFQ-QMMMGPOBSA-N
MW186.21 g/mol
LogP1.06
Rot. Bonds7

About methyl (5R)-5-formyloxyhept-6-enoate

methyl (5R)-5-formyloxyhept-6-enoate (PubChem CID 174511231) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl (5R)-5-formyloxyhept-6-enoate.

Molecular Properties

Compound Namemethyl (5R)-5-formyloxyhept-6-enoate
PubChem CID174511231
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl (5R)-5-formyloxyhept-6-enoate
SMILESC=C[C@@H](CCCC(=O)OC)OC=O
InChIInChI=1S/C9H14O4/c1-3-8(13-7-10)5-4-6-9(11)12-2/h3,7-8H,1,4-6H2,2H3/t8-/m0/s1
InChIKeyGZTWFOFDRYTYFQ-QMMMGPOBSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (5R)-5-formyloxyhept-6-enoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-amino-6-oxohexanoate
CID 78438770
methyl (5S,6R)-6-acetyloxy-5-hydroxyoct-7-enoate
CID 131865162
methyl 6-acetyloxy-5-hydroxyoct-7-enoate
CID 121222388
methyl 4-formyloxybutanoate
CID 88643911
methyl 6-methyl-7-oxoheptanoate
CID 19897350
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;stannane
CID 173290076
methyl 6-methylhept-6-enoate
CID 12590016

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-formyloxyhept-6-enoate?
The IUPAC name of methyl (5R)-5-formyloxyhept-6-enoate (CID 174511231) is methyl (5R)-5-formyloxyhept-6-enoate.
What is the SMILES notation for methyl (5R)-5-formyloxyhept-6-enoate?
The canonical SMILES for methyl (5R)-5-formyloxyhept-6-enoate is C=C[C@@H](CCCC(=O)OC)OC=O.
What is the InChIKey of methyl (5R)-5-formyloxyhept-6-enoate?
The InChIKey is GZTWFOFDRYTYFQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-8(13-7-10)5-4-6-9(11)12-2/h3,7-8H,1,4-6H2,2H3/t8-/m0/s1.
What are the key properties of methyl (5R)-5-formyloxyhept-6-enoate?
methyl (5R)-5-formyloxyhept-6-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-formyloxyhept-6-enoate is sourced from PubChem (CID 174511231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).