CID 59971478

C12H20O5 — CID 59971478

IUPAC—
SMILES[CH]OC(COCC=C)COCC1COC(C)O1
InChIInChI=1S/C12H20O5/c1-4-5-14-6-11(13-3)7-15-8-12-9-16-10(2)17-12/h3-4,10-12H,1,5-9H2,2H3
InChIKeyIEEHQOCWUZUKDN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.02
Rot. Bonds9

About CID 59971478

CID 59971478 (PubChem CID 59971478) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol.

Molecular Properties

Compound NameCID 59971478
PubChem CID59971478
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name—
SMILES[CH]OC(COCC=C)COCC1COC(C)O1
InChIInChI=1S/C12H20O5/c1-4-5-14-6-11(13-3)7-15-8-12-9-16-10(2)17-12/h3-4,10-12H,1,5-9H2,2H3
InChIKeyIEEHQOCWUZUKDN-UHFFFAOYSA-N
XLogP1.02
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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bis(2-(prop-2-enoxymethyl)oxirane);hydrate
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CID 159627691
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
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Frequently Asked Questions

What is the IUPAC name of CID 59971478?
The IUPAC name of CID 59971478 (CID 59971478) is not available.
What is the SMILES notation for CID 59971478?
The canonical SMILES for CID 59971478 is [CH]OC(COCC=C)COCC1COC(C)O1.
What is the InChIKey of CID 59971478?
The InChIKey is IEEHQOCWUZUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-5-14-6-11(13-3)7-15-8-12-9-16-10(2)17-12/h3-4,10-12H,1,5-9H2,2H3.
What are the key properties of CID 59971478?
CID 59971478 has a molecular weight of 244.29 g/mol, XLogP of 1.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59971478 is sourced from PubChem (CID 59971478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).