3-methoxy-4-(2-methylpropoxy)hex-3-ene

C11H22O2 — CID 123264499

IUPAC3-methoxy-4-(2-methylpropoxy)hex-3-ene
SMILESCCC(OC)=C(CC)OCC(C)C
InChIInChI=1S/C11H22O2/c1-6-10(12-5)11(7-2)13-8-9(3)4/h9H,6-8H2,1-5H3
InChIKeyXKUDDMTUDALGRT-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.34
Rot. Bonds6

About 3-methoxy-4-(2-methylpropoxy)hex-3-ene

3-methoxy-4-(2-methylpropoxy)hex-3-ene (PubChem CID 123264499) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylpropoxy)hex-3-ene.

Molecular Properties

Compound Name3-methoxy-4-(2-methylpropoxy)hex-3-ene
PubChem CID123264499
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-4-(2-methylpropoxy)hex-3-ene
SMILESCCC(OC)=C(CC)OCC(C)C
InChIInChI=1S/C11H22O2/c1-6-10(12-5)11(7-2)13-8-9(3)4/h9H,6-8H2,1-5H3
InChIKeyXKUDDMTUDALGRT-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methoxy-4-(2-methylpropoxy)hex-3-ene?
The IUPAC name of 3-methoxy-4-(2-methylpropoxy)hex-3-ene (CID 123264499) is 3-methoxy-4-(2-methylpropoxy)hex-3-ene.
What is the SMILES notation for 3-methoxy-4-(2-methylpropoxy)hex-3-ene?
The canonical SMILES for 3-methoxy-4-(2-methylpropoxy)hex-3-ene is CCC(OC)=C(CC)OCC(C)C.
What is the InChIKey of 3-methoxy-4-(2-methylpropoxy)hex-3-ene?
The InChIKey is XKUDDMTUDALGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10(12-5)11(7-2)13-8-9(3)4/h9H,6-8H2,1-5H3.
What are the key properties of 3-methoxy-4-(2-methylpropoxy)hex-3-ene?
3-methoxy-4-(2-methylpropoxy)hex-3-ene has a molecular weight of 186.29 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methylpropoxy)hex-3-ene is sourced from PubChem (CID 123264499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).