CID 101065924

C13H27O2 — CID 101065924

IUPAC—
SMILESCCCCCCCCCC(C)C([O])OC
InChIInChI=1S/C13H27O2/c1-4-5-6-7-8-9-10-11-12(2)13(14)15-3/h12-13H,4-11H2,1-3H3
InChIKeyIAZARMGSEAMVBE-UHFFFAOYSA-N
MW215.36 g/mol
LogP4.17
Rot. Bonds10

About CID 101065924

CID 101065924 (PubChem CID 101065924) has the molecular formula C13H27O2 and a molecular weight of 215.36 g/mol.

Molecular Properties

Compound NameCID 101065924
PubChem CID101065924
Molecular FormulaC13H27O2
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name—
SMILESCCCCCCCCCC(C)C([O])OC
InChIInChI=1S/C13H27O2/c1-4-5-6-7-8-9-10-11-12(2)13(14)15-3/h12-13H,4-11H2,1-3H3
InChIKeyIAZARMGSEAMVBE-UHFFFAOYSA-N
XLogP4.17
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 101065924?
The IUPAC name of CID 101065924 (CID 101065924) is not available.
What is the SMILES notation for CID 101065924?
The canonical SMILES for CID 101065924 is CCCCCCCCCC(C)C([O])OC.
What is the InChIKey of CID 101065924?
The InChIKey is IAZARMGSEAMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2/c1-4-5-6-7-8-9-10-11-12(2)13(14)15-3/h12-13H,4-11H2,1-3H3.
What are the key properties of CID 101065924?
CID 101065924 has a molecular weight of 215.36 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101065924 is sourced from PubChem (CID 101065924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).