(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one

C24H24O — CID 134887564

IUPAC(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one
SMILESO=C1/C=C\c2c3cc4cc2CCCc2cc(cc(c21)CCC3)CCC4
InChIInChI=1S/C24H24O/c25-23-11-10-22-18-6-2-8-20-14-17-5-1-4-16(12-18)13-19(22)7-3-9-21(15-17)24(20)23/h10-15H,1-9H2/b11-10-
InChIKeyPXTNDZCIHOEYBC-KHPPLWFESA-N
MW328.45 g/mol
LogP5.05
Rot. Bonds

About (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one

(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one (PubChem CID 134887564) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one.

Molecular Properties

Compound Name(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one
PubChem CID134887564
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Name(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one
SMILESO=C1/C=C\c2c3cc4cc2CCCc2cc(cc(c21)CCC3)CCC4
InChIInChI=1S/C24H24O/c25-23-11-10-22-18-6-2-8-20-14-17-5-1-4-16(12-18)13-19(22)7-3-9-21(15-17)24(20)23/h10-15H,1-9H2/b11-10-
InChIKeyPXTNDZCIHOEYBC-KHPPLWFESA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one?
The IUPAC name of (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one (CID 134887564) is (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one.
What is the SMILES notation for (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one?
The canonical SMILES for (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one is O=C1/C=C\c2c3cc4cc2CCCc2cc(cc(c21)CCC3)CCC4.
What is the InChIKey of (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one?
The InChIKey is PXTNDZCIHOEYBC-KHPPLWFESA-N. The full InChI is InChI=1S/C24H24O/c25-23-11-10-22-18-6-2-8-20-14-17-5-1-4-16(12-18)13-19(22)7-3-9-21(15-17)24(20)23/h10-15H,1-9H2/b11-10-.
What are the key properties of (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one?
(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one has a molecular weight of 328.45 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one is sourced from PubChem (CID 134887564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).