10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one

C23H16O — CID 118473639

IUPAC10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
SMILESCc1c2c(cc3ccccc13)-c1cc3ccccc3c(C)c1C2=O
InChIInChI=1S/C23H16O/c1-13-17-9-5-3-7-15(17)11-19-20-12-16-8-4-6-10-18(16)14(2)22(20)23(24)21(13)19/h3-12H,1-2H3
InChIKeyPDYHWPCPVDZBPP-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.82
Rot. Bonds

About 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one

10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one (PubChem CID 118473639) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one.

Molecular Properties

Compound Name10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
PubChem CID118473639
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
SMILESCc1c2c(cc3ccccc13)-c1cc3ccccc3c(C)c1C2=O
InChIInChI=1S/C23H16O/c1-13-17-9-5-3-7-15(17)11-19-20-12-16-8-4-6-10-18(16)14(2)22(20)23(24)21(13)19/h3-12H,1-2H3
InChIKeyPDYHWPCPVDZBPP-UHFFFAOYSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one?
The IUPAC name of 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one (CID 118473639) is 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one.
What is the SMILES notation for 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one?
The canonical SMILES for 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one is Cc1c2c(cc3ccccc13)-c1cc3ccccc3c(C)c1C2=O.
What is the InChIKey of 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one?
The InChIKey is PDYHWPCPVDZBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c1-13-17-9-5-3-7-15(17)11-19-20-12-16-8-4-6-10-18(16)14(2)22(20)23(24)21(13)19/h3-12H,1-2H3.
What are the key properties of 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one?
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one has a molecular weight of 308.38 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one is sourced from PubChem (CID 118473639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).