ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate

C10H17NO5 — CID 88648048

IUPACethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate
SMILESCCOC(=O)/C(=N\OC)C1(C)CCCOO1
InChIInChI=1S/C10H17NO5/c1-4-14-9(12)8(11-13-3)10(2)6-5-7-15-16-10/h4-7H2,1-3H3/b11-8+
InChIKeyFTPRVSUMNZSRRI-DHZHZOJOSA-N
MW231.25 g/mol
LogP1.05
Rot. Bonds4

About ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate

ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate (PubChem CID 88648048) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate
PubChem CID88648048
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Nameethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate
SMILESCCOC(=O)/C(=N\OC)C1(C)CCCOO1
InChIInChI=1S/C10H17NO5/c1-4-14-9(12)8(11-13-3)10(2)6-5-7-15-16-10/h4-7H2,1-3H3/b11-8+
InChIKeyFTPRVSUMNZSRRI-DHZHZOJOSA-N
XLogP1.05
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.05
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate?
The IUPAC name of ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate (CID 88648048) is ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate.
What is the SMILES notation for ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate?
The canonical SMILES for ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate is CCOC(=O)/C(=N\OC)C1(C)CCCOO1.
What is the InChIKey of ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate?
The InChIKey is FTPRVSUMNZSRRI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-14-9(12)8(11-13-3)10(2)6-5-7-15-16-10/h4-7H2,1-3H3/b11-8+.
What are the key properties of ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate?
ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate has a molecular weight of 231.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-methoxyimino-2-(3-methyldioxan-3-yl)acetate is sourced from PubChem (CID 88648048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).