5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene

C22H42O — CID 90022781

IUPAC5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene
SMILESC=C(CCC(C)CC(C)(C)C)OC(=C)CCC(C)CC(C)(C)C
InChIInChI=1S/C22H42O/c1-17(15-21(5,6)7)11-13-19(3)23-20(4)14-12-18(2)16-22(8,9)10/h17-18H,3-4,11-16H2,1-2,5-10H3
InChIKeyLXGABSHVASYXEG-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.74
Rot. Bonds10

About 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene

5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene (PubChem CID 90022781) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene.

Molecular Properties

Compound Name5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene
PubChem CID90022781
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene
SMILESC=C(CCC(C)CC(C)(C)C)OC(=C)CCC(C)CC(C)(C)C
InChIInChI=1S/C22H42O/c1-17(15-21(5,6)7)11-13-19(3)23-20(4)14-12-18(2)16-22(8,9)10/h17-18H,3-4,11-16H2,1-2,5-10H3
InChIKeyLXGABSHVASYXEG-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene?
The IUPAC name of 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene (CID 90022781) is 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene.
What is the SMILES notation for 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene?
The canonical SMILES for 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene is C=C(CCC(C)CC(C)(C)C)OC(=C)CCC(C)CC(C)(C)C.
What is the InChIKey of 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene?
The InChIKey is LXGABSHVASYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-17(15-21(5,6)7)11-13-19(3)23-20(4)14-12-18(2)16-22(8,9)10/h17-18H,3-4,11-16H2,1-2,5-10H3.
What are the key properties of 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene?
5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene has a molecular weight of 322.58 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene is sourced from PubChem (CID 90022781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).