CID 11161436

C15H22O4 — CID 11161436

IUPAC—
SMILESC1CC2(CCO1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H22O4/c1-3-16-4-2-14(1)17-15(19-18-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-13H,1-9H2
InChIKeyURYUVMMWDVHDJZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds

About CID 11161436

CID 11161436 (PubChem CID 11161436) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol.

Molecular Properties

Compound NameCID 11161436
PubChem CID11161436
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name—
SMILESC1CC2(CCO1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H22O4/c1-3-16-4-2-14(1)17-15(19-18-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-13H,1-9H2
InChIKeyURYUVMMWDVHDJZ-UHFFFAOYSA-N
XLogP2.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11161436?
The IUPAC name of CID 11161436 (CID 11161436) is not available.
What is the SMILES notation for CID 11161436?
The canonical SMILES for CID 11161436 is C1CC2(CCO1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11161436?
The InChIKey is URYUVMMWDVHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-16-4-2-14(1)17-15(19-18-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-13H,1-9H2.
What are the key properties of CID 11161436?
CID 11161436 has a molecular weight of 266.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11161436 is sourced from PubChem (CID 11161436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).