9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane

C25H22 — CID 174319976

IUPAC9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane
SMILESCC1C2C3CC4C5C6C7CC8C9CC%10C%11C%12C1C21C34C52C63C87C9%10C%113C%1212
InChIInChI=1S/C25H22/c1-5-12-8-4-11-15-14-9-2-6-7-3-10-16-17-13(5)21(12)20(8,11)23(15)22(14)18(6,9)19(7,10)24(16,22)25(17,21)23/h5-17H,2-4H2,1H3
InChIKeyDHOWCAOBPSMSGK-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.28
Rot. Bonds

About 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane

9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane (PubChem CID 174319976) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane.

Molecular Properties

Compound Name9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane
PubChem CID174319976
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane
SMILESCC1C2C3CC4C5C6C7CC8C9CC%10C%11C%12C1C21C34C52C63C87C9%10C%113C%1212
InChIInChI=1S/C25H22/c1-5-12-8-4-11-15-14-9-2-6-7-3-10-16-17-13(5)21(12)20(8,11)23(15)22(14)18(6,9)19(7,10)24(16,22)25(17,21)23/h5-17H,2-4H2,1H3
InChIKeyDHOWCAOBPSMSGK-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane?
The IUPAC name of 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane (CID 174319976) is 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane.
What is the SMILES notation for 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane?
The canonical SMILES for 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane is CC1C2C3CC4C5C6C7CC8C9CC%10C%11C%12C1C21C34C52C63C87C9%10C%113C%1212.
What is the InChIKey of 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane?
The InChIKey is DHOWCAOBPSMSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-5-12-8-4-11-15-14-9-2-6-7-3-10-16-17-13(5)21(12)20(8,11)23(15)22(14)18(6,9)19(7,10)24(16,22)25(17,21)23/h5-17H,2-4H2,1H3.
What are the key properties of 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane?
9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane has a molecular weight of 322.45 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane is sourced from PubChem (CID 174319976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).