CID 100998716

C12H22NO3 — CID 100998716

IUPAC—
SMILESCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO3/c1-6-10(14)16-9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyYUQWAPPIMWEHHN-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.31
Rot. Bonds2

About CID 100998716

CID 100998716 (PubChem CID 100998716) has the molecular formula C12H22NO3 and a molecular weight of 228.31 g/mol.

Molecular Properties

Compound NameCID 100998716
PubChem CID100998716
Molecular FormulaC12H22NO3
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name—
SMILESCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO3/c1-6-10(14)16-9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyYUQWAPPIMWEHHN-UHFFFAOYSA-N
XLogP2.31
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 100998716?
The IUPAC name of CID 100998716 (CID 100998716) is not available.
What is the SMILES notation for CID 100998716?
The canonical SMILES for CID 100998716 is CCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 100998716?
The InChIKey is YUQWAPPIMWEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO3/c1-6-10(14)16-9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3.
What are the key properties of CID 100998716?
CID 100998716 has a molecular weight of 228.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100998716 is sourced from PubChem (CID 100998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).