(E)-7-methoxyhept-2-ene

C8H16O — CID 12593437

IUPAC(E)-7-methoxyhept-2-ene
SMILESC/C=C/CCCCOC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyLHKNPDWIWJXFPJ-ONEGZZNKSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds5

About (E)-7-methoxyhept-2-ene

(E)-7-methoxyhept-2-ene (PubChem CID 12593437) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-7-methoxyhept-2-ene.

Molecular Properties

Compound Name(E)-7-methoxyhept-2-ene
PubChem CID12593437
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-7-methoxyhept-2-ene
SMILESC/C=C/CCCCOC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyLHKNPDWIWJXFPJ-ONEGZZNKSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxyhept-2-ene?
The IUPAC name of (E)-7-methoxyhept-2-ene (CID 12593437) is (E)-7-methoxyhept-2-ene.
What is the SMILES notation for (E)-7-methoxyhept-2-ene?
The canonical SMILES for (E)-7-methoxyhept-2-ene is C/C=C/CCCCOC.
What is the InChIKey of (E)-7-methoxyhept-2-ene?
The InChIKey is LHKNPDWIWJXFPJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-7-methoxyhept-2-ene?
(E)-7-methoxyhept-2-ene has a molecular weight of 128.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxyhept-2-ene is sourced from PubChem (CID 12593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).