(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione

C15H14O2 — CID 125033385

IUPAC(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione
SMILESO=C1[C@H]2[C@H]3C=C[C@H]4[C@@H]5C(=O)C[C@H]6[C@H]1[C@H]2[C@H]([C@@H]34)[C@H]65
InChIInChI=1S/C15H14O2/c16-7-3-6-10-9(7)4-1-2-5-8(4)13(10)14-11(5)15(17)12(6)14/h1-2,4-6,8-14H,3H2/t4-,5+,6-,8-,9-,10-,11+,12+,13-,14+/m1/s1
InChIKeyBCUZMZGSYPKKDL-FNPNTBTNSA-N
MW226.27 g/mol
LogP1.31
Rot. Bonds

About (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione

(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione (PubChem CID 125033385) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione.

Molecular Properties

Compound Name(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione
PubChem CID125033385
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione
SMILESO=C1[C@H]2[C@H]3C=C[C@H]4[C@@H]5C(=O)C[C@H]6[C@H]1[C@H]2[C@H]([C@@H]34)[C@H]65
InChIInChI=1S/C15H14O2/c16-7-3-6-10-9(7)4-1-2-5-8(4)13(10)14-11(5)15(17)12(6)14/h1-2,4-6,8-14H,3H2/t4-,5+,6-,8-,9-,10-,11+,12+,13-,14+/m1/s1
InChIKeyBCUZMZGSYPKKDL-FNPNTBTNSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione?
The IUPAC name of (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione (CID 125033385) is (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione.
What is the SMILES notation for (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione?
The canonical SMILES for (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione is O=C1[C@H]2[C@H]3C=C[C@H]4[C@@H]5C(=O)C[C@H]6[C@H]1[C@H]2[C@H]([C@@H]34)[C@H]65.
What is the InChIKey of (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione?
The InChIKey is BCUZMZGSYPKKDL-FNPNTBTNSA-N. The full InChI is InChI=1S/C15H14O2/c16-7-3-6-10-9(7)4-1-2-5-8(4)13(10)14-11(5)15(17)12(6)14/h1-2,4-6,8-14H,3H2/t4-,5+,6-,8-,9-,10-,11+,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione?
(1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione has a molecular weight of 226.27 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S,6R,9S,10R,13S,14R,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione is sourced from PubChem (CID 125033385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).