octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene

C38H38 — CID 123722792

IUPACoctadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene
SMILESC1CC2C1C1C3=C(C21)C1C3C2C1C1C2C2C1C1C2C2C3C4C5C6C7=C(C8C7C7C9CCC9C87)C6C5C4C3C12
InChIInChI=1S/C38H38/c1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)33-34(30)38-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)37(33)38/h5-14,19-38H,1-4H2
InChIKeyXPWYLIBPFCODCV-UHFFFAOYSA-N
MW494.72 g/mol
LogP5.87
Rot. Bonds

About octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene

octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene (PubChem CID 123722792) has the molecular formula C38H38 and a molecular weight of 494.72 g/mol. Its IUPAC name is octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene.

Molecular Properties

Compound Nameoctadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene
PubChem CID123722792
Molecular FormulaC38H38
Molecular Weight494.72 g/mol
Exact Mass494.30
IUPAC Nameoctadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene
SMILESC1CC2C1C1C3=C(C21)C1C3C2C1C1C2C2C1C1C2C2C3C4C5C6C7=C(C8C7C7C9CCC9C87)C6C5C4C3C12
InChIInChI=1S/C38H38/c1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)33-34(30)38-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)37(33)38/h5-14,19-38H,1-4H2
InChIKeyXPWYLIBPFCODCV-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene?
The IUPAC name of octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene (CID 123722792) is octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene.
What is the SMILES notation for octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene?
The canonical SMILES for octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene is C1CC2C1C1C3=C(C21)C1C3C2C1C1C2C2C1C1C2C2C3C4C5C6C7=C(C8C7C7C9CCC9C87)C6C5C4C3C12.
What is the InChIKey of octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene?
The InChIKey is XPWYLIBPFCODCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38/c1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)33-34(30)38-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)37(33)38/h5-14,19-38H,1-4H2.
What are the key properties of octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene?
octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene has a molecular weight of 494.72 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecacyclo[18.18.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,38.022,37.023,36.024,35.025,34.026,33.027,32.028,31]octatriaconta-6(15),26(33)-diene is sourced from PubChem (CID 123722792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).