dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate

C16H24O4 — CID 10062213

IUPACdimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate
SMILESC/C=C1/CC(C(=O)OC)(C(=O)OC)CC12CCCCC2
InChIInChI=1S/C16H24O4/c1-4-12-10-16(13(17)19-2,14(18)20-3)11-15(12)8-6-5-7-9-15/h4H,5-11H2,1-3H3/b12-4-
InChIKeyAWPWHYOUAQXZLZ-QCDXTXTGSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds2

About dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate

dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate (PubChem CID 10062213) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate
PubChem CID10062213
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namedimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate
SMILESC/C=C1/CC(C(=O)OC)(C(=O)OC)CC12CCCCC2
InChIInChI=1S/C16H24O4/c1-4-12-10-16(13(17)19-2,14(18)20-3)11-15(12)8-6-5-7-9-15/h4H,5-11H2,1-3H3/b12-4-
InChIKeyAWPWHYOUAQXZLZ-QCDXTXTGSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate?
The IUPAC name of dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate (CID 10062213) is dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate is C/C=C1/CC(C(=O)OC)(C(=O)OC)CC12CCCCC2.
What is the InChIKey of dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate?
The InChIKey is AWPWHYOUAQXZLZ-QCDXTXTGSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-12-10-16(13(17)19-2,14(18)20-3)11-15(12)8-6-5-7-9-15/h4H,5-11H2,1-3H3/b12-4-.
What are the key properties of dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate?
dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate has a molecular weight of 280.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate is sourced from PubChem (CID 10062213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).