4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene

C16H30O — CID 22164522

IUPAC4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(C)CCC)OC(=C)CC(C)CCC
InChIInChI=1S/C16H30O/c1-7-9-13(3)11-15(5)17-16(6)12-14(4)10-8-2/h13-14H,5-12H2,1-4H3
InChIKeyMUIVZVREKDSDCF-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.68
Rot. Bonds10

About 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene

4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene (PubChem CID 22164522) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene
PubChem CID22164522
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(C)CCC)OC(=C)CC(C)CCC
InChIInChI=1S/C16H30O/c1-7-9-13(3)11-15(5)17-16(6)12-14(4)10-8-2/h13-14H,5-12H2,1-4H3
InChIKeyMUIVZVREKDSDCF-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene (CID 22164522) is 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene is C=C(CC(C)CCC)OC(=C)CC(C)CCC.
What is the InChIKey of 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene?
The InChIKey is MUIVZVREKDSDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-7-9-13(3)11-15(5)17-16(6)12-14(4)10-8-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene?
4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene has a molecular weight of 238.41 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylhept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 22164522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).