CID 118309113

C16H24O5 — CID 118309113

IUPAC—
SMILESO[C@@H]1C[C@H](O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O5/c17-13-6-14(18)8-15(7-13)19-16(21-20-15)11-2-9-1-10(4-11)5-12(16)3-9/h9-14,17-18H,1-8H2/t9?,10?,11?,12?,13-,14+,15?,16?
InChIKeyCITYVZRNILMWKG-WGUNOPTMSA-N
MW296.36 g/mol
LogP1.72
Rot. Bonds

About CID 118309113

CID 118309113 (PubChem CID 118309113) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol.

Molecular Properties

Compound NameCID 118309113
PubChem CID118309113
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name—
SMILESO[C@@H]1C[C@H](O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O5/c17-13-6-14(18)8-15(7-13)19-16(21-20-15)11-2-9-1-10(4-11)5-12(16)3-9/h9-14,17-18H,1-8H2/t9?,10?,11?,12?,13-,14+,15?,16?
InChIKeyCITYVZRNILMWKG-WGUNOPTMSA-N
XLogP1.72
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 118309113?
The IUPAC name of CID 118309113 (CID 118309113) is not available.
What is the SMILES notation for CID 118309113?
The canonical SMILES for CID 118309113 is O[C@@H]1C[C@H](O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 118309113?
The InChIKey is CITYVZRNILMWKG-WGUNOPTMSA-N. The full InChI is InChI=1S/C16H24O5/c17-13-6-14(18)8-15(7-13)19-16(21-20-15)11-2-9-1-10(4-11)5-12(16)3-9/h9-14,17-18H,1-8H2/t9?,10?,11?,12?,13-,14+,15?,16?.
What are the key properties of CID 118309113?
CID 118309113 has a molecular weight of 296.36 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118309113 is sourced from PubChem (CID 118309113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).