CID 139497163

C17H28O3 — CID 139497163

IUPAC—
SMILESCC1CC2CCCC(C2)C12OCC1(CCCC(O)C1)O2
InChIInChI=1S/C17H28O3/c1-12-8-13-4-2-5-14(9-13)17(12)19-11-16(20-17)7-3-6-15(18)10-16/h12-15,18H,2-11H2,1H3
InChIKeyYWEIEGLAUVTVSD-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.25
Rot. Bonds

About CID 139497163

CID 139497163 (PubChem CID 139497163) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol.

Molecular Properties

Compound NameCID 139497163
PubChem CID139497163
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name—
SMILESCC1CC2CCCC(C2)C12OCC1(CCCC(O)C1)O2
InChIInChI=1S/C17H28O3/c1-12-8-13-4-2-5-14(9-13)17(12)19-11-16(20-17)7-3-6-15(18)10-16/h12-15,18H,2-11H2,1H3
InChIKeyYWEIEGLAUVTVSD-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 139497163?
The IUPAC name of CID 139497163 (CID 139497163) is not available.
What is the SMILES notation for CID 139497163?
The canonical SMILES for CID 139497163 is CC1CC2CCCC(C2)C12OCC1(CCCC(O)C1)O2.
What is the InChIKey of CID 139497163?
The InChIKey is YWEIEGLAUVTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-12-8-13-4-2-5-14(9-13)17(12)19-11-16(20-17)7-3-6-15(18)10-16/h12-15,18H,2-11H2,1H3.
What are the key properties of CID 139497163?
CID 139497163 has a molecular weight of 280.41 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139497163 is sourced from PubChem (CID 139497163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).