CID 11254885

C17H26O4 — CID 11254885

IUPAC—
SMILESOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O4/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15,18H,1-10H2
InChIKeyMQHTWRYTIUOTDK-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.00
Rot. Bonds1

About CID 11254885

CID 11254885 (PubChem CID 11254885) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol.

Molecular Properties

Compound NameCID 11254885
PubChem CID11254885
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name—
SMILESOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O4/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15,18H,1-10H2
InChIKeyMQHTWRYTIUOTDK-UHFFFAOYSA-N
XLogP3.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 11254885?
The IUPAC name of CID 11254885 (CID 11254885) is not available.
What is the SMILES notation for CID 11254885?
The canonical SMILES for CID 11254885 is OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11254885?
The InChIKey is MQHTWRYTIUOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15,18H,1-10H2.
What are the key properties of CID 11254885?
CID 11254885 has a molecular weight of 294.39 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11254885 is sourced from PubChem (CID 11254885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).