(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene

C30H48 — CID 165368626

IUPAC(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene
SMILESC/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C30H48/c1-23-12-8-14-24(2)16-10-18-26(4)20-21-28-29(30(28,6)7)22-27(5)19-11-17-25(3)15-9-13-23/h13-14,17-18,22,28-29H,8-12,15-16,19-21H2,1-7H3/b23-13+,24-14+,25-17+,26-18+,27-22+/t28-,29-/m1/s1
InChIKeyRHBWEVCRGQZVST-SGDJXXCCSA-N
MW408.71 g/mol
LogP9.90
Rot. Bonds

About (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene

(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene (PubChem CID 165368626) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene.

Molecular Properties

Compound Name(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene
PubChem CID165368626
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene
SMILESC/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C30H48/c1-23-12-8-14-24(2)16-10-18-26(4)20-21-28-29(30(28,6)7)22-27(5)19-11-17-25(3)15-9-13-23/h13-14,17-18,22,28-29H,8-12,15-16,19-21H2,1-7H3/b23-13+,24-14+,25-17+,26-18+,27-22+/t28-,29-/m1/s1
InChIKeyRHBWEVCRGQZVST-SGDJXXCCSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene?
The IUPAC name of (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene (CID 165368626) is (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene.
What is the SMILES notation for (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene?
The canonical SMILES for (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene is C/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C.
What is the InChIKey of (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene?
The InChIKey is RHBWEVCRGQZVST-SGDJXXCCSA-N. The full InChI is InChI=1S/C30H48/c1-23-12-8-14-24(2)16-10-18-26(4)20-21-28-29(30(28,6)7)22-27(5)19-11-17-25(3)15-9-13-23/h13-14,17-18,22,28-29H,8-12,15-16,19-21H2,1-7H3/b23-13+,24-14+,25-17+,26-18+,27-22+/t28-,29-/m1/s1.
What are the key properties of (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene?
(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene has a molecular weight of 408.71 g/mol, XLogP of 9.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene is sourced from PubChem (CID 165368626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).