CID 59971474

C16H28O5 — CID 59971474

IUPAC—
SMILES[CH]OC(COCC=C)COCC1COC(CCCCC)O1
InChIInChI=1S/C16H28O5/c1-4-6-7-8-16-20-13-15(21-16)12-19-11-14(17-3)10-18-9-5-2/h3,5,14-16H,2,4,6-13H2,1H3
InChIKeyOAJRJZKGXKVYEN-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.58
Rot. Bonds13

About CID 59971474

CID 59971474 (PubChem CID 59971474) has the molecular formula C16H28O5 and a molecular weight of 300.39 g/mol.

Molecular Properties

Compound NameCID 59971474
PubChem CID59971474
Molecular FormulaC16H28O5
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Name—
SMILES[CH]OC(COCC=C)COCC1COC(CCCCC)O1
InChIInChI=1S/C16H28O5/c1-4-6-7-8-16-20-13-15(21-16)12-19-11-14(17-3)10-18-9-5-2/h3,5,14-16H,2,4,6-13H2,1H3
InChIKeyOAJRJZKGXKVYEN-UHFFFAOYSA-N
XLogP2.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of CID 59971474?
The IUPAC name of CID 59971474 (CID 59971474) is not available.
What is the SMILES notation for CID 59971474?
The canonical SMILES for CID 59971474 is [CH]OC(COCC=C)COCC1COC(CCCCC)O1.
What is the InChIKey of CID 59971474?
The InChIKey is OAJRJZKGXKVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-4-6-7-8-16-20-13-15(21-16)12-19-11-14(17-3)10-18-9-5-2/h3,5,14-16H,2,4,6-13H2,1H3.
What are the key properties of CID 59971474?
CID 59971474 has a molecular weight of 300.39 g/mol, XLogP of 2.58, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59971474 is sourced from PubChem (CID 59971474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).