heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane

C36H40 — CID 20663352

IUPACheptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9CCC9C8C7C6C5C4C3C12
InChIInChI=1S/C36H40/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)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(33)36/h5-36H,1-4H2
InChIKeyCNXOFUBFTFSISU-UHFFFAOYSA-N
MW472.72 g/mol
LogP5.50
Rot. Bonds

About heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane

heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane (PubChem CID 20663352) has the molecular formula C36H40 and a molecular weight of 472.72 g/mol. Its IUPAC name is heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane.

Molecular Properties

Compound Nameheptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
PubChem CID20663352
Molecular FormulaC36H40
Molecular Weight472.72 g/mol
Exact Mass472.31
IUPAC Nameheptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9CCC9C8C7C6C5C4C3C12
InChIInChI=1S/C36H40/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)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(33)36/h5-36H,1-4H2
InChIKeyCNXOFUBFTFSISU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane?
The IUPAC name of heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane (CID 20663352) is heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane.
What is the SMILES notation for heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane?
The canonical SMILES for heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane is C1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9CCC9C8C7C6C5C4C3C12.
What is the InChIKey of heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane?
The InChIKey is CNXOFUBFTFSISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40/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)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(33)36/h5-36H,1-4H2.
What are the key properties of heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane?
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane has a molecular weight of 472.72 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane is sourced from PubChem (CID 20663352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).