(3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene

C34H58 — CID 162847373

About (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene

(3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene (PubChem CID 162847373) has the molecular formula C34H58 and a molecular weight of 466.84 g/mol. Its IUPAC name is (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene.

Molecular Properties

• Compound Name: (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene
• PubChem CID: 162847373
• Molecular Formula: C34H58
• Molecular Weight: 466.84 g/mol
• Exact Mass: 466.45
• IUPAC Name: (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene
• SMILES: C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)/C(C)=C\C[C@@H](C)C(=C)C
• InChI: InChI=1S/C34H58/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,20-21,23,27-30,33H,1-2,4,10,15-19,22,24H2,3,5-9,11-13H3/b23-21+,32-20-/t27-,28+,29+,30+,33+,34-/m0/s1
• InChIKey: RTJNCOBGELQZOV-OGWOPFKLSA-N
• XLogP: 11.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.84
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene?

The IUPAC name of (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene (CID 162847373) is (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene.

What is the SMILES notation for (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene?

The canonical SMILES for (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene is C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)/C(C)=C\C[C@@H](C)C(=C)C.

What is the InChIKey of (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene?

The InChIKey is RTJNCOBGELQZOV-OGWOPFKLSA-N. The full InChI is InChI=1S/C34H58/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,20-21,23,27-30,33H,1-2,4,10,15-19,22,24H2,3,5-9,11-13H3/b23-21+,32-20-/t27-,28+,29+,30+,33+,34-/m0/s1.

What are the key properties of (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene?

(3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene has a molecular weight of 466.84 g/mol, XLogP of 11.30, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene is sourced from PubChem (CID 162847373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).