3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene

C18H36O2 — CID 89201842

IUPAC3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene
SMILESC=CC(C)CC(C)(CC)OC(C)CCOC(C)(C)CC
InChIInChI=1S/C18H36O2/c1-9-15(4)14-18(8,11-3)20-16(5)12-13-19-17(6,7)10-2/h9,15-16H,1,10-14H2,2-8H3
InChIKeyURISNJMMSPRDNR-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.37
Rot. Bonds11

About 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene

3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene (PubChem CID 89201842) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene.

Molecular Properties

Compound Name3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene
PubChem CID89201842
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene
SMILESC=CC(C)CC(C)(CC)OC(C)CCOC(C)(C)CC
InChIInChI=1S/C18H36O2/c1-9-15(4)14-18(8,11-3)20-16(5)12-13-19-17(6,7)10-2/h9,15-16H,1,10-14H2,2-8H3
InChIKeyURISNJMMSPRDNR-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene?
The IUPAC name of 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene (CID 89201842) is 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene.
What is the SMILES notation for 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene?
The canonical SMILES for 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene is C=CC(C)CC(C)(CC)OC(C)CCOC(C)(C)CC.
What is the InChIKey of 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene?
The InChIKey is URISNJMMSPRDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-9-15(4)14-18(8,11-3)20-16(5)12-13-19-17(6,7)10-2/h9,15-16H,1,10-14H2,2-8H3.
What are the key properties of 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene?
3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene has a molecular weight of 284.48 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-[4-(2-methylbutan-2-yloxy)butan-2-yloxy]hept-1-ene is sourced from PubChem (CID 89201842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).