(1R,13R)-bicyclo[11.2.0]pentadecan-14-one

C15H26O — CID 24895078

IUPAC(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
SMILESO=C1C[C@H]2CCCCCCCCCCC[C@@H]12
InChIInChI=1S/C15H26O/c16-15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)15/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyVYJXZWCLZLXCRM-ZIAGYGMSSA-N
MW222.37 g/mol
LogP4.50
Rot. Bonds

About (1R,13R)-bicyclo[11.2.0]pentadecan-14-one

(1R,13R)-bicyclo[11.2.0]pentadecan-14-one (PubChem CID 24895078) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,13R)-bicyclo[11.2.0]pentadecan-14-one.

Molecular Properties

Compound Name(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
PubChem CID24895078
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
SMILESO=C1C[C@H]2CCCCCCCCCCC[C@@H]12
InChIInChI=1S/C15H26O/c16-15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)15/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyVYJXZWCLZLXCRM-ZIAGYGMSSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,13R)-bicyclo[11.2.0]pentadecan-14-one?
The IUPAC name of (1R,13R)-bicyclo[11.2.0]pentadecan-14-one (CID 24895078) is (1R,13R)-bicyclo[11.2.0]pentadecan-14-one.
What is the SMILES notation for (1R,13R)-bicyclo[11.2.0]pentadecan-14-one?
The canonical SMILES for (1R,13R)-bicyclo[11.2.0]pentadecan-14-one is O=C1C[C@H]2CCCCCCCCCCC[C@@H]12.
What is the InChIKey of (1R,13R)-bicyclo[11.2.0]pentadecan-14-one?
The InChIKey is VYJXZWCLZLXCRM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26O/c16-15-12-13-10-8-6-4-2-1-3-5-7-9-11-14(13)15/h13-14H,1-12H2/t13-,14-/m1/s1.
What are the key properties of (1R,13R)-bicyclo[11.2.0]pentadecan-14-one?
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one has a molecular weight of 222.37 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-bicyclo[11.2.0]pentadecan-14-one is sourced from PubChem (CID 24895078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).