2-methoxyhex-1-ene

C7H14O — CID 551586

IUPAC2-methoxyhex-1-ene
SMILESC=C(CCCC)OC
InChIInChI=1S/C7H14O/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyAMRGRKVHBQWHLW-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

About 2-methoxyhex-1-ene

2-methoxyhex-1-ene (PubChem CID 551586) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methoxyhex-1-ene.

Molecular Properties

Compound Name2-methoxyhex-1-ene
PubChem CID551586
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-methoxyhex-1-ene
SMILESC=C(CCCC)OC
InChIInChI=1S/C7H14O/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3
InChIKeyAMRGRKVHBQWHLW-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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 2-methoxyhex-1-ene?
The IUPAC name of 2-methoxyhex-1-ene (CID 551586) is 2-methoxyhex-1-ene.
What is the SMILES notation for 2-methoxyhex-1-ene?
The canonical SMILES for 2-methoxyhex-1-ene is C=C(CCCC)OC.
What is the InChIKey of 2-methoxyhex-1-ene?
The InChIKey is AMRGRKVHBQWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-6-7(2)8-3/h2,4-6H2,1,3H3.
What are the key properties of 2-methoxyhex-1-ene?
2-methoxyhex-1-ene has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhex-1-ene is sourced from PubChem (CID 551586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).