(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione

C16H24O2 — CID 102059008

IUPAC(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
SMILESO=C1CCCCC[C@H]2[C@@H]3CCCCCC(=O)[C@H]3[C@H]12
InChIInChI=1S/C16H24O2/c17-13-9-5-1-3-7-11-12-8-4-2-6-10-14(18)16(12)15(11)13/h11-12,15-16H,1-10H2/t11-,12-,15-,16-/m0/s1
InChIKeyZFJBZLNPWBMAST-APYUEPQZSA-N
MW248.37 g/mol
LogP3.53
Rot. Bonds

About (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione

(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione (PubChem CID 102059008) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione.

Molecular Properties

Compound Name(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
PubChem CID102059008
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
SMILESO=C1CCCCC[C@H]2[C@@H]3CCCCCC(=O)[C@H]3[C@H]12
InChIInChI=1S/C16H24O2/c17-13-9-5-1-3-7-11-12-8-4-2-6-10-14(18)16(12)15(11)13/h11-12,15-16H,1-10H2/t11-,12-,15-,16-/m0/s1
InChIKeyZFJBZLNPWBMAST-APYUEPQZSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione?
The IUPAC name of (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione (CID 102059008) is (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione.
What is the SMILES notation for (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione?
The canonical SMILES for (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione is O=C1CCCCC[C@H]2[C@@H]3CCCCCC(=O)[C@H]3[C@H]12.
What is the InChIKey of (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione?
The InChIKey is ZFJBZLNPWBMAST-APYUEPQZSA-N. The full InChI is InChI=1S/C16H24O2/c17-13-9-5-1-3-7-11-12-8-4-2-6-10-14(18)16(12)15(11)13/h11-12,15-16H,1-10H2/t11-,12-,15-,16-/m0/s1.
What are the key properties of (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione?
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione has a molecular weight of 248.37 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione is sourced from PubChem (CID 102059008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).