CID 58891848

C13H26NO3 — CID 58891848

IUPAC—
SMILESCCC1(C)CC(O)(OC)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C13H26NO3/c1-7-11(4)9-13(15,17-6)10(3)12(5,8-2)14(11)16/h10,15H,7-9H2,1-6H3
InChIKeyLZMCUUNZFVJXLS-UHFFFAOYSA-N
MW244.35 g/mol
LogP2.35
Rot. Bonds3

About CID 58891848

CID 58891848 (PubChem CID 58891848) has the molecular formula C13H26NO3 and a molecular weight of 244.35 g/mol.

Molecular Properties

Compound NameCID 58891848
PubChem CID58891848
Molecular FormulaC13H26NO3
Molecular Weight244.35 g/mol
Exact Mass244.19
IUPAC Name—
SMILESCCC1(C)CC(O)(OC)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C13H26NO3/c1-7-11(4)9-13(15,17-6)10(3)12(5,8-2)14(11)16/h10,15H,7-9H2,1-6H3
InChIKeyLZMCUUNZFVJXLS-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58891848?
The IUPAC name of CID 58891848 (CID 58891848) is not available.
What is the SMILES notation for CID 58891848?
The canonical SMILES for CID 58891848 is CCC1(C)CC(O)(OC)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58891848?
The InChIKey is LZMCUUNZFVJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO3/c1-7-11(4)9-13(15,17-6)10(3)12(5,8-2)14(11)16/h10,15H,7-9H2,1-6H3.
What are the key properties of CID 58891848?
CID 58891848 has a molecular weight of 244.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58891848 is sourced from PubChem (CID 58891848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).