(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene

C24H34 — CID 177433784

IUPAC(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene
SMILESC1CCC23C[C@@H]4CC(C[C@@H](C4)C2)/C3=C2\C3C[C@@H]4C[C@H](C3)CC2(C1)C4
InChIInChI=1S/C24H34/c1-2-4-24-13-17-6-18(14-24)10-20(9-17)22(24)21-19-7-15-5-16(8-19)12-23(21,3-1)11-15/h15-20H,1-14H2/b22-21-/t15-,16+,17-,18+,19?,20?,23?,24?
InChIKeyBWNPRNOGNCRINL-MHFGSFKMSA-N
MW322.54 g/mol
LogP6.51
Rot. Bonds

About (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene

(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene (PubChem CID 177433784) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene.

Molecular Properties

Compound Name(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene
PubChem CID177433784
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene
SMILESC1CCC23C[C@@H]4CC(C[C@@H](C4)C2)/C3=C2\C3C[C@@H]4C[C@H](C3)CC2(C1)C4
InChIInChI=1S/C24H34/c1-2-4-24-13-17-6-18(14-24)10-20(9-17)22(24)21-19-7-15-5-16(8-19)12-23(21,3-1)11-15/h15-20H,1-14H2/b22-21-/t15-,16+,17-,18+,19?,20?,23?,24?
InChIKeyBWNPRNOGNCRINL-MHFGSFKMSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene?
The IUPAC name of (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene (CID 177433784) is (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene.
What is the SMILES notation for (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene?
The canonical SMILES for (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene is C1CCC23C[C@@H]4CC(C[C@@H](C4)C2)/C3=C2\C3C[C@@H]4C[C@H](C3)CC2(C1)C4.
What is the InChIKey of (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene?
The InChIKey is BWNPRNOGNCRINL-MHFGSFKMSA-N. The full InChI is InChI=1S/C24H34/c1-2-4-24-13-17-6-18(14-24)10-20(9-17)22(24)21-19-7-15-5-16(8-19)12-23(21,3-1)11-15/h15-20H,1-14H2/b22-21-/t15-,16+,17-,18+,19?,20?,23?,24?.
What are the key properties of (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene?
(8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene has a molecular weight of 322.54 g/mol, XLogP of 6.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10R,13Z,17S,19R)-heptacyclo[15.3.1.16,10.18,12.115,19.01,14.06,13]tetracos-13-ene is sourced from PubChem (CID 177433784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).