11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene

C31H36 — CID 123695967

IUPAC11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene
SMILESCC1C=C2C3C4C5CC6CC4(C1)C1C4(C6)CC6C7C8CC9CC%10C8CC6C31C2%10C7(C9)C54
InChIInChI=1S/C31H36/c1-12-2-21-24-23-17-4-14-8-27(23,7-12)26-28(9-14)11-18-19-6-15-16-3-13-5-20(15)31(21,30(19,24)26)29(10-13,22(16)18)25(17)28/h2,12-20,22-26H,3-11H2,1H3
InChIKeyRCCVHAJZKIMLBV-UHFFFAOYSA-N
MW408.63 g/mol
LogP6.18
Rot. Bonds

About 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene

11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene (PubChem CID 123695967) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene.

Molecular Properties

Compound Name11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene
PubChem CID123695967
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene
SMILESCC1C=C2C3C4C5CC6CC4(C1)C1C4(C6)CC6C7C8CC9CC%10C8CC6C31C2%10C7(C9)C54
InChIInChI=1S/C31H36/c1-12-2-21-24-23-17-4-14-8-27(23,7-12)26-28(9-14)11-18-19-6-15-16-3-13-5-20(15)31(21,30(19,24)26)29(10-13,22(16)18)25(17)28/h2,12-20,22-26H,3-11H2,1H3
InChIKeyRCCVHAJZKIMLBV-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene?
The IUPAC name of 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene (CID 123695967) is 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene.
What is the SMILES notation for 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene?
The canonical SMILES for 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene is CC1C=C2C3C4C5CC6CC4(C1)C1C4(C6)CC6C7C8CC9CC%10C8CC6C31C2%10C7(C9)C54.
What is the InChIKey of 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene?
The InChIKey is RCCVHAJZKIMLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36/c1-12-2-21-24-23-17-4-14-8-27(23,7-12)26-28(9-14)11-18-19-6-15-16-3-13-5-20(15)31(21,30(19,24)26)29(10-13,22(16)18)25(17)28/h2,12-20,22-26H,3-11H2,1H3.
What are the key properties of 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene?
11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene has a molecular weight of 408.63 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltridecacyclo[13.12.1.11,13.15,24.02,17.03,8.03,25.07,23.08,20.09,19.013,18.021,26.020,30]triacont-9-ene is sourced from PubChem (CID 123695967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).