CID 10357113

C17H26O4 — CID 10357113

IUPAC—
SMILESCC1(O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O4/c1-15(18)2-4-16(5-3-15)19-17(21-20-16)13-7-11-6-12(9-13)10-14(17)8-11/h11-14,18H,2-10H2,1H3
InChIKeyLXDIFCZURONONG-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.14
Rot. Bonds

About CID 10357113

CID 10357113 (PubChem CID 10357113) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol.

Molecular Properties

Compound NameCID 10357113
PubChem CID10357113
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name—
SMILESCC1(O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O4/c1-15(18)2-4-16(5-3-15)19-17(21-20-16)13-7-11-6-12(9-13)10-14(17)8-11/h11-14,18H,2-10H2,1H3
InChIKeyLXDIFCZURONONG-UHFFFAOYSA-N
XLogP3.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 10357113 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10357113?
The IUPAC name of CID 10357113 (CID 10357113) is not available.
What is the SMILES notation for CID 10357113?
The canonical SMILES for CID 10357113 is CC1(O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 10357113?
The InChIKey is LXDIFCZURONONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-15(18)2-4-16(5-3-15)19-17(21-20-16)13-7-11-6-12(9-13)10-14(17)8-11/h11-14,18H,2-10H2,1H3.
What are the key properties of CID 10357113?
CID 10357113 has a molecular weight of 294.39 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10357113 is sourced from PubChem (CID 10357113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).