(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione

C23H26O2 — CID 10759168

IUPAC(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione
SMILESO=C1C2=C(C(=O)C3CC4=C(CC13)C1C4[C@H]3CC[C@@H]1C3)C1CCC2CC1
InChIInChI=1S/C23H26O2/c24-22-16-8-14-15(19-13-6-5-12(7-13)18(14)19)9-17(16)23(25)21-11-2-1-10(3-4-11)20(21)22/h10-13,16-19H,1-9H2/t10?,11?,12-,13+,16?,17?,18?,19?
InChIKeyLAFSJNCZMFRSOC-ACGDGCSUSA-N
MW334.46 g/mol
LogP4.25
Rot. Bonds

About (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione

(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione (PubChem CID 10759168) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione.

Molecular Properties

Compound Name(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione
PubChem CID10759168
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione
SMILESO=C1C2=C(C(=O)C3CC4=C(CC13)C1C4[C@H]3CC[C@@H]1C3)C1CCC2CC1
InChIInChI=1S/C23H26O2/c24-22-16-8-14-15(19-13-6-5-12(7-13)18(14)19)9-17(16)23(25)21-11-2-1-10(3-4-11)20(21)22/h10-13,16-19H,1-9H2/t10?,11?,12-,13+,16?,17?,18?,19?
InChIKeyLAFSJNCZMFRSOC-ACGDGCSUSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione?
The IUPAC name of (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione (CID 10759168) is (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione.
What is the SMILES notation for (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione?
The canonical SMILES for (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione is O=C1C2=C(C(=O)C3CC4=C(CC13)C1C4[C@H]3CC[C@@H]1C3)C1CCC2CC1.
What is the InChIKey of (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione?
The InChIKey is LAFSJNCZMFRSOC-ACGDGCSUSA-N. The full InChI is InChI=1S/C23H26O2/c24-22-16-8-14-15(19-13-6-5-12(7-13)18(14)19)9-17(16)23(25)21-11-2-1-10(3-4-11)20(21)22/h10-13,16-19H,1-9H2/t10?,11?,12-,13+,16?,17?,18?,19?.
What are the key properties of (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione?
(8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione has a molecular weight of 334.46 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,11R)-heptacyclo[16.2.2.18,11.02,17.04,15.06,13.07,12]tricosa-2(17),6(13)-diene-3,16-dione is sourced from PubChem (CID 10759168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).