carboxy 3,7-dimethyloct-6-enimidate

C11H19NO3 — CID 139305540

IUPACcarboxy 3,7-dimethyloct-6-enimidate
SMILES[H]/N=C(/CC(C)CCC=C(C)C)OC(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)5-4-6-9(3)7-10(12)15-11(13)14/h5,9,12H,4,6-7H2,1-3H3,(H,13,14)/b12-10-
InChIKeyXZEPXZRCJHTHAU-BENRWUELSA-N
MW213.28 g/mol
LogP3.43
Rot. Bonds5

About carboxy 3,7-dimethyloct-6-enimidate

carboxy 3,7-dimethyloct-6-enimidate (PubChem CID 139305540) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is carboxy 3,7-dimethyloct-6-enimidate.

Molecular Properties

Compound Namecarboxy 3,7-dimethyloct-6-enimidate
PubChem CID139305540
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecarboxy 3,7-dimethyloct-6-enimidate
SMILES[H]/N=C(/CC(C)CCC=C(C)C)OC(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)5-4-6-9(3)7-10(12)15-11(13)14/h5,9,12H,4,6-7H2,1-3H3,(H,13,14)/b12-10-
InChIKeyXZEPXZRCJHTHAU-BENRWUELSA-N
XLogP3.43
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-imino-5,9-dimethyldec-8-enoate
CID 54056647
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
carboxy 4-carboxyoxy-2-hydroxy-4-iminobutanoate
CID 18517211
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
[(5R)-2,5,9-trimethyl-3-oxodec-8-en-2-yl]phosphonic acid
CID 18605959
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263

Frequently Asked Questions

What is the IUPAC name of carboxy 3,7-dimethyloct-6-enimidate?
The IUPAC name of carboxy 3,7-dimethyloct-6-enimidate (CID 139305540) is carboxy 3,7-dimethyloct-6-enimidate.
What is the SMILES notation for carboxy 3,7-dimethyloct-6-enimidate?
The canonical SMILES for carboxy 3,7-dimethyloct-6-enimidate is [H]/N=C(/CC(C)CCC=C(C)C)OC(=O)O.
What is the InChIKey of carboxy 3,7-dimethyloct-6-enimidate?
The InChIKey is XZEPXZRCJHTHAU-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)5-4-6-9(3)7-10(12)15-11(13)14/h5,9,12H,4,6-7H2,1-3H3,(H,13,14)/b12-10-.
What are the key properties of carboxy 3,7-dimethyloct-6-enimidate?
carboxy 3,7-dimethyloct-6-enimidate has a molecular weight of 213.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy 3,7-dimethyloct-6-enimidate is sourced from PubChem (CID 139305540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).