CID 14974770

C13H20O2 — CID 14974770

IUPAC—
SMILESO[C@H]1CCCC[C@@]12OC21[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C13H20O2/c14-11-7-3-4-8-12(11)13(15-12)9-5-1-2-6-10(9)13/h9-11,14H,1-8H2/t9-,10+,11-,12+,13?/m0/s1
InChIKeyIFGZOMZBZMFKAZ-KZKMVBDOSA-N
MW208.30 g/mol
LogP2.25
Rot. Bonds

About CID 14974770

CID 14974770 (PubChem CID 14974770) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol.

Molecular Properties

Compound NameCID 14974770
PubChem CID14974770
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name—
SMILESO[C@H]1CCCC[C@@]12OC21[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C13H20O2/c14-11-7-3-4-8-12(11)13(15-12)9-5-1-2-6-10(9)13/h9-11,14H,1-8H2/t9-,10+,11-,12+,13?/m0/s1
InChIKeyIFGZOMZBZMFKAZ-KZKMVBDOSA-N
XLogP2.25
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14974770?
The IUPAC name of CID 14974770 (CID 14974770) is not available.
What is the SMILES notation for CID 14974770?
The canonical SMILES for CID 14974770 is O[C@H]1CCCC[C@@]12OC21[C@@H]2CCCC[C@@H]21.
What is the InChIKey of CID 14974770?
The InChIKey is IFGZOMZBZMFKAZ-KZKMVBDOSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-7-3-4-8-12(11)13(15-12)9-5-1-2-6-10(9)13/h9-11,14H,1-8H2/t9-,10+,11-,12+,13?/m0/s1.
What are the key properties of CID 14974770?
CID 14974770 has a molecular weight of 208.30 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14974770 is sourced from PubChem (CID 14974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).