4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane

C16H30O2 — CID 87659267

IUPAC4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane
SMILESCCCC(OC=C(C)C)C(CC)COC=C(C)C
InChIInChI=1S/C16H30O2/c1-7-9-16(18-11-14(5)6)15(8-2)12-17-10-13(3)4/h10-11,15-16H,7-9,12H2,1-6H3
InChIKeyQLLFTULRHZUXHO-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.06
Rot. Bonds9

About 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane

4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane (PubChem CID 87659267) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane.

Molecular Properties

Compound Name4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane
PubChem CID87659267
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane
SMILESCCCC(OC=C(C)C)C(CC)COC=C(C)C
InChIInChI=1S/C16H30O2/c1-7-9-16(18-11-14(5)6)15(8-2)12-17-10-13(3)4/h10-11,15-16H,7-9,12H2,1-6H3
InChIKeyQLLFTULRHZUXHO-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane 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-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane?
The IUPAC name of 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane (CID 87659267) is 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane.
What is the SMILES notation for 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane?
The canonical SMILES for 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane is CCCC(OC=C(C)C)C(CC)COC=C(C)C.
What is the InChIKey of 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane?
The InChIKey is QLLFTULRHZUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-9-16(18-11-14(5)6)15(8-2)12-17-10-13(3)4/h10-11,15-16H,7-9,12H2,1-6H3.
What are the key properties of 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane?
4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane has a molecular weight of 254.41 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enoxy)-3-(2-methylprop-1-enoxymethyl)heptane is sourced from PubChem (CID 87659267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).