dimethyl 4-methoxyiminoheptanedioate

C10H17NO5 — CID 587685

IUPACdimethyl 4-methoxyiminoheptanedioate
SMILESCON=C(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C10H17NO5/c1-14-9(12)6-4-8(11-16-3)5-7-10(13)15-2/h4-7H2,1-3H3
InChIKeyCKTDEPPHDJIVCV-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.90
Rot. Bonds7

About dimethyl 4-methoxyiminoheptanedioate

dimethyl 4-methoxyiminoheptanedioate (PubChem CID 587685) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl 4-methoxyiminoheptanedioate.

Molecular Properties

Compound Namedimethyl 4-methoxyiminoheptanedioate
PubChem CID587685
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl 4-methoxyiminoheptanedioate
SMILESCON=C(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C10H17NO5/c1-14-9(12)6-4-8(11-16-3)5-7-10(13)15-2/h4-7H2,1-3H3
InChIKeyCKTDEPPHDJIVCV-UHFFFAOYSA-N
XLogP0.90
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2E)-2-methoxyiminopentanedioate
CID 5365354
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
methane;methyl 3-hydroxypropanoate
CID 165023436
methyl 3-methoxyiminobutanoate
CID 72729968
(2-methoxy-2-oxoethyl)phosphanium bromide
CID 44717091
methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate
CID 23635958
4-methoxy-4-oxobutanoate
CID 6930703
methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
CID 173417413
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
methyl 4-(4-bromophenyl)-4-methoxyiminobutanoate
CID 175234719

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methoxyiminoheptanedioate?
The IUPAC name of dimethyl 4-methoxyiminoheptanedioate (CID 587685) is dimethyl 4-methoxyiminoheptanedioate.
What is the SMILES notation for dimethyl 4-methoxyiminoheptanedioate?
The canonical SMILES for dimethyl 4-methoxyiminoheptanedioate is CON=C(CCC(=O)OC)CCC(=O)OC.
What is the InChIKey of dimethyl 4-methoxyiminoheptanedioate?
The InChIKey is CKTDEPPHDJIVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-14-9(12)6-4-8(11-16-3)5-7-10(13)15-2/h4-7H2,1-3H3.
What are the key properties of dimethyl 4-methoxyiminoheptanedioate?
dimethyl 4-methoxyiminoheptanedioate has a molecular weight of 231.25 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methoxyiminoheptanedioate is sourced from PubChem (CID 587685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).