(1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one

C24H36O — CID 58835418

About (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one

(1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one (PubChem CID 58835418) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one.

Molecular Properties

• Compound Name: (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
• PubChem CID: 58835418
• Molecular Formula: C24H36O
• Molecular Weight: 340.55 g/mol
• Exact Mass: 340.28
• IUPAC Name: (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
• SMILES: CC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(C)[C@H](C)[C@@H](C)[C@]2(C)[C@@H]2C=C(C)C(=O)[C@@]2(C)C1
• InChI: InChI=1S/C24H36O/c1-13-10-17-19-21(5,6)24(19,9)16(4)15(3)23(17,8)18-11-14(2)20(25)22(18,7)12-13/h10-11,15-19H,12H2,1-9H3/t15-,16-,17+,18-,19-,22+,23+,24-/m1/s1
• InChIKey: KYYJYEMUFSUGJL-HDJPFBAJSA-N
• XLogP: 6.06
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.55
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one?

The IUPAC name of (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one (CID 58835418) is (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one.

What is the SMILES notation for (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one?

The canonical SMILES for (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one is CC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(C)[C@H](C)[C@@H](C)[C@]2(C)[C@@H]2C=C(C)C(=O)[C@@]2(C)C1.

What is the InChIKey of (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one?

The InChIKey is KYYJYEMUFSUGJL-HDJPFBAJSA-N. The full InChI is InChI=1S/C24H36O/c1-13-10-17-19-21(5,6)24(19,9)16(4)15(3)23(17,8)18-11-14(2)20(25)22(18,7)12-13/h10-11,15-19H,12H2,1-9H3/t15-,16-,17+,18-,19-,22+,23+,24-/m1/s1.

What are the key properties of (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one?

(1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one has a molecular weight of 340.55 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,6S,10S,11R,13R,14R,15R)-1,4,6,8,12,12,13,14,15-nonamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one is sourced from PubChem (CID 58835418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).