CID 122233784

C14H26NO3 — CID 122233784

IUPAC—
SMILESCCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H26NO3/c1-6-7-8-12(16)18-11-9-13(2,3)15(17)14(4,5)10-11/h11H,6-10H2,1-5H3
InChIKeyXRLBBKINHYEUCN-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.09
Rot. Bonds4

About CID 122233784

CID 122233784 (PubChem CID 122233784) has the molecular formula C14H26NO3 and a molecular weight of 256.37 g/mol.

Molecular Properties

Compound NameCID 122233784
PubChem CID122233784
Molecular FormulaC14H26NO3
Molecular Weight256.37 g/mol
Exact Mass256.19
IUPAC Name—
SMILESCCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H26NO3/c1-6-7-8-12(16)18-11-9-13(2,3)15(17)14(4,5)10-11/h11H,6-10H2,1-5H3
InChIKeyXRLBBKINHYEUCN-UHFFFAOYSA-N
XLogP3.09
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 122233784?
The IUPAC name of CID 122233784 (CID 122233784) is not available.
What is the SMILES notation for CID 122233784?
The canonical SMILES for CID 122233784 is CCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 122233784?
The InChIKey is XRLBBKINHYEUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO3/c1-6-7-8-12(16)18-11-9-13(2,3)15(17)14(4,5)10-11/h11H,6-10H2,1-5H3.
What are the key properties of CID 122233784?
CID 122233784 has a molecular weight of 256.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122233784 is sourced from PubChem (CID 122233784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).