(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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Related Compounds

(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
CID 12555701
(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
CID 11287061
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
3,4,4a,5,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,6-dione
CID 13403967
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrotetracene-5,6,11,12-tetrone
CID 57353248
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574

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).