(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene

C25H40 — CID 171666166

IUPAC(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
SMILESC=C1/C=C\[C@@]2(C)CC[C@@H](C(C)C)[C@@H]2CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,15,17,19,23-24H,5,7-9,12-14,16,18H2,1-4,6H3/b17-15-,20-10-,21-11-/t23-,24-,25-/m0/s1
InChIKeyZOFLFLLHVFTRDR-LNHQKRKUSA-N
MW340.60 g/mol
LogP8.03
Rot. Bonds1

About (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene

(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene (PubChem CID 171666166) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene.

Molecular Properties

Compound Name(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
PubChem CID171666166
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
SMILESC=C1/C=C\[C@@]2(C)CC[C@@H](C(C)C)[C@@H]2CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,15,17,19,23-24H,5,7-9,12-14,16,18H2,1-4,6H3/b17-15-,20-10-,21-11-/t23-,24-,25-/m0/s1
InChIKeyZOFLFLLHVFTRDR-LNHQKRKUSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene?
The IUPAC name of (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene (CID 171666166) is (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene.
What is the SMILES notation for (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene?
The canonical SMILES for (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene is C=C1/C=C\[C@@]2(C)CC[C@@H](C(C)C)[C@@H]2CC/C(C)=C\CC/C(C)=C\CC1.
What is the InChIKey of (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene?
The InChIKey is ZOFLFLLHVFTRDR-LNHQKRKUSA-N. The full InChI is InChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,15,17,19,23-24H,5,7-9,12-14,16,18H2,1-4,6H3/b17-15-,20-10-,21-11-/t23-,24-,25-/m0/s1.
What are the key properties of (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene?
(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene has a molecular weight of 340.60 g/mol, XLogP of 8.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene is sourced from PubChem (CID 171666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).