(E)-1-methoxyhept-3-ene

C8H16O — CID 13049937

IUPAC(E)-1-methoxyhept-3-ene
SMILESCCC/C=C/CCOC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyOCFSUZJEFVENME-AATRIKPKSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds5

About (E)-1-methoxyhept-3-ene

(E)-1-methoxyhept-3-ene (PubChem CID 13049937) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-1-methoxyhept-3-ene.

Molecular Properties

Compound Name(E)-1-methoxyhept-3-ene
PubChem CID13049937
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-1-methoxyhept-3-ene
SMILESCCC/C=C/CCOC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyOCFSUZJEFVENME-AATRIKPKSA-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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Related Compounds

(E)-1-methoxyhex-3-ene
CID 5364208
(E)-1-methoxyhex-2-ene
CID 5366215
1-ethoxyhept-3-ene
CID 547708
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(Z)-5-methoxypent-2-ene
CID 59946556
(Z)-1-methoxynon-4-ene
CID 59123720
(Z)-22-methoxydocos-9-ene
CID 139489496
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
(E)-1-(3-methoxypropoxy)hex-3-ene
CID 118978200

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhept-3-ene?
The IUPAC name of (E)-1-methoxyhept-3-ene (CID 13049937) is (E)-1-methoxyhept-3-ene.
What is the SMILES notation for (E)-1-methoxyhept-3-ene?
The canonical SMILES for (E)-1-methoxyhept-3-ene is CCC/C=C/CCOC.
What is the InChIKey of (E)-1-methoxyhept-3-ene?
The InChIKey is OCFSUZJEFVENME-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-1-methoxyhept-3-ene?
(E)-1-methoxyhept-3-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)-1-methoxyhept-3-ene is sourced from PubChem (CID 13049937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).