hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone

C15O5 — CID 102150743

IUPAChexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone
SMILESO=c1c2c3c(=O)c3c3c(=O)c3c3c(=O)c3c3c(=O)c3c12
InChIInChI=1S/C15O5/c16-11-1-2(11)4-6(13(4)18)8-10(15(8)20)9-7(14(9)19)5-3(1)12(5)17/b3-1-,4-2-,7-5-,8-6-,10-9-
InChIKeyIGLSEQLJVZNHNY-IKBPTWAMSA-N
MW260.16 g/mol
LogP-0.24
Rot. Bonds

About hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone

hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone (PubChem CID 102150743) has the molecular formula C15O5 and a molecular weight of 260.16 g/mol. Its IUPAC name is hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone.

Molecular Properties

Compound Namehexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone
PubChem CID102150743
Molecular FormulaC15O5
Molecular Weight260.16 g/mol
Exact Mass259.97
IUPAC Namehexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone
SMILESO=c1c2c3c(=O)c3c3c(=O)c3c3c(=O)c3c3c(=O)c3c12
InChIInChI=1S/C15O5/c16-11-1-2(11)4-6(13(4)18)8-10(15(8)20)9-7(14(9)19)5-3(1)12(5)17/b3-1-,4-2-,7-5-,8-6-,10-9-
InChIKeyIGLSEQLJVZNHNY-IKBPTWAMSA-N
XLogP-0.24
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone?
The IUPAC name of hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone (CID 102150743) is hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone.
What is the SMILES notation for hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone?
The canonical SMILES for hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone is O=c1c2c3c(=O)c3c3c(=O)c3c3c(=O)c3c3c(=O)c3c12.
What is the InChIKey of hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone?
The InChIKey is IGLSEQLJVZNHNY-IKBPTWAMSA-N. The full InChI is InChI=1S/C15O5/c16-11-1-2(11)4-6(13(4)18)8-10(15(8)20)9-7(14(9)19)5-3(1)12(5)17/b3-1-,4-2-,7-5-,8-6-,10-9-.
What are the key properties of hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone?
hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone has a molecular weight of 260.16 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[12.1.0.02,4.05,7.08,10.011,13]pentadeca-1(14),2(4),5(7),8(10),11(13)-pentaene-3,6,9,12,15-pentone is sourced from PubChem (CID 102150743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).