CID 10494171

C17H28O4 — CID 10494171

IUPAC—
SMILESCCOC12CCC1COC21CCC2(CC1)OCCCCO2
InChIInChI=1S/C17H28O4/c1-2-18-17-6-5-14(17)13-21-15(17)7-9-16(10-8-15)19-11-3-4-12-20-16/h14H,2-13H2,1H3
InChIKeyGPUWDFPRZZGSLX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds2

About CID 10494171

CID 10494171 (PubChem CID 10494171) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol.

Molecular Properties

Compound NameCID 10494171
PubChem CID10494171
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name—
SMILESCCOC12CCC1COC21CCC2(CC1)OCCCCO2
InChIInChI=1S/C17H28O4/c1-2-18-17-6-5-14(17)13-21-15(17)7-9-16(10-8-15)19-11-3-4-12-20-16/h14H,2-13H2,1H3
InChIKeyGPUWDFPRZZGSLX-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 10494171?
The IUPAC name of CID 10494171 (CID 10494171) is not available.
What is the SMILES notation for CID 10494171?
The canonical SMILES for CID 10494171 is CCOC12CCC1COC21CCC2(CC1)OCCCCO2.
What is the InChIKey of CID 10494171?
The InChIKey is GPUWDFPRZZGSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-2-18-17-6-5-14(17)13-21-15(17)7-9-16(10-8-15)19-11-3-4-12-20-16/h14H,2-13H2,1H3.
What are the key properties of CID 10494171?
CID 10494171 has a molecular weight of 296.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10494171 is sourced from PubChem (CID 10494171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).