CID 176589507

C17H27NO5 — CID 176589507

IUPAC—
SMILESCN(C)C(=O)OC1CCCC2(C1)OOC1(CC3CCC1CC3)O2
InChIInChI=1S/C17H27NO5/c1-18(2)15(19)20-14-4-3-9-16(11-14)21-17(23-22-16)10-12-5-7-13(17)8-6-12/h12-14H,3-11H2,1-2H3
InChIKeyDMFSVDGCJRANDT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.21
Rot. Bonds1

About CID 176589507

CID 176589507 (PubChem CID 176589507) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol.

Molecular Properties

Compound NameCID 176589507
PubChem CID176589507
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name—
SMILESCN(C)C(=O)OC1CCCC2(C1)OOC1(CC3CCC1CC3)O2
InChIInChI=1S/C17H27NO5/c1-18(2)15(19)20-14-4-3-9-16(11-14)21-17(23-22-16)10-12-5-7-13(17)8-6-12/h12-14H,3-11H2,1-2H3
InChIKeyDMFSVDGCJRANDT-UHFFFAOYSA-N
XLogP3.21
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 176589507?
The IUPAC name of CID 176589507 (CID 176589507) is not available.
What is the SMILES notation for CID 176589507?
The canonical SMILES for CID 176589507 is CN(C)C(=O)OC1CCCC2(C1)OOC1(CC3CCC1CC3)O2.
What is the InChIKey of CID 176589507?
The InChIKey is DMFSVDGCJRANDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-18(2)15(19)20-14-4-3-9-16(11-14)21-17(23-22-16)10-12-5-7-13(17)8-6-12/h12-14H,3-11H2,1-2H3.
What are the key properties of CID 176589507?
CID 176589507 has a molecular weight of 325.41 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176589507 is sourced from PubChem (CID 176589507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).