14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione

C24H10O3 — CID 4167056

IUPAC14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione
SMILESO=c1oc(=O)c2c3ccc4cccc5c6cccc7ccc(c12)c(c76)c3c45
InChIInChI=1S/C24H10O3/c25-23-21-15-9-7-11-3-1-5-13-14-6-2-4-12-8-10-16(22(21)24(26)27-23)20(18(12)14)19(15)17(11)13/h1-10H
InChIKeyNIFHFNGNLCXSRN-UHFFFAOYSA-N
MW346.34 g/mol
LogP5.23
Rot. Bonds

About 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione

14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione (PubChem CID 4167056) has the molecular formula C24H10O3 and a molecular weight of 346.34 g/mol. Its IUPAC name is 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione.

Molecular Properties

Compound Name14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione
PubChem CID4167056
Molecular FormulaC24H10O3
Molecular Weight346.34 g/mol
Exact Mass346.06
IUPAC Name14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione
SMILESO=c1oc(=O)c2c3ccc4cccc5c6cccc7ccc(c12)c(c76)c3c45
InChIInChI=1S/C24H10O3/c25-23-21-15-9-7-11-3-1-5-13-14-6-2-4-12-8-10-16(22(21)24(26)27-23)20(18(12)14)19(15)17(11)13/h1-10H
InChIKeyNIFHFNGNLCXSRN-UHFFFAOYSA-N
XLogP5.23
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione?
The IUPAC name of 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione (CID 4167056) is 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione.
What is the SMILES notation for 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione?
The canonical SMILES for 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione is O=c1oc(=O)c2c3ccc4cccc5c6cccc7ccc(c12)c(c76)c3c45.
What is the InChIKey of 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione?
The InChIKey is NIFHFNGNLCXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10O3/c25-23-21-15-9-7-11-3-1-5-13-14-6-2-4-12-8-10-16(22(21)24(26)27-23)20(18(12)14)19(15)17(11)13/h1-10H.
What are the key properties of 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione?
14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione has a molecular weight of 346.34 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxaheptacyclo[15.8.0.02,11.03,8.04,24.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,9,12(16),18,20(25),21,23-undecaene-13,15-dione is sourced from PubChem (CID 4167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).