4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene

C20H38O — CID 173274745

IUPAC4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene
SMILESCC(C)CC=C(CC(C)C)OC(=CCC(C)C)CC(C)C
InChIInChI=1S/C20H38O/c1-15(2)9-11-19(13-17(5)6)21-20(14-18(7)8)12-10-16(3)4/h11-12,15-18H,9-10,13-14H2,1-8H3
InChIKeyKMISGILDWVHZQU-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.96
Rot. Bonds10

About 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene

4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene (PubChem CID 173274745) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene.

Molecular Properties

Compound Name4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene
PubChem CID173274745
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene
SMILESCC(C)CC=C(CC(C)C)OC(=CCC(C)C)CC(C)C
InChIInChI=1S/C20H38O/c1-15(2)9-11-19(13-17(5)6)21-20(14-18(7)8)12-10-16(3)4/h11-12,15-18H,9-10,13-14H2,1-8H3
InChIKeyKMISGILDWVHZQU-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.96
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 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene?
The IUPAC name of 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene (CID 173274745) is 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene.
What is the SMILES notation for 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene?
The canonical SMILES for 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene is CC(C)CC=C(CC(C)C)OC(=CCC(C)C)CC(C)C.
What is the InChIKey of 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene?
The InChIKey is KMISGILDWVHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-15(2)9-11-19(13-17(5)6)21-20(14-18(7)8)12-10-16(3)4/h11-12,15-18H,9-10,13-14H2,1-8H3.
What are the key properties of 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene?
4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene has a molecular weight of 294.52 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene is sourced from PubChem (CID 173274745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).