(E)-1-methoxyhex-3-ene

C7H14O — CID 5364208

IUPAC(E)-1-methoxyhex-3-ene
SMILESCC/C=C/CCOC
InChIInChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKeyKUPODEXLSGEWFR-SNAWJCMRSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds4

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

(E)-1-methoxyhex-3-ene (PubChem CID 5364208) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-1-methoxyhex-3-ene.

Molecular Properties

Compound Name(E)-1-methoxyhex-3-ene
PubChem CID5364208
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-1-methoxyhex-3-ene
SMILESCC/C=C/CCOC
InChIInChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKeyKUPODEXLSGEWFR-SNAWJCMRSA-N
XLogP1.99
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 ≤ 51.99
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-methoxyhept-3-ene
CID 13049937
(E)-1-(3-methoxypropoxy)hex-3-ene
CID 118978200
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(Z)-5-methoxypent-2-ene
CID 59946556
(E)-1-methoxypent-2-ene;1-methoxypropane
CID 159933268
1-methoxypent-2-ene
CID 551185
diethyl-[(Z)-hex-3-enoxy]alumane
CID 16684144
1-(2-methoxyethoxy)but-1-ene
CID 54192618
(Z)-7-ethoxyhept-3-ene
CID 89382132
(Z)-1-methoxynon-4-ene
CID 59123720
[(E)-hex-3-enyl] carbonochloridate
CID 13308511

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhex-3-ene?
The IUPAC name of (E)-1-methoxyhex-3-ene (CID 5364208) is (E)-1-methoxyhex-3-ene.
What is the SMILES notation for (E)-1-methoxyhex-3-ene?
The canonical SMILES for (E)-1-methoxyhex-3-ene is CC/C=C/CCOC.
What is the InChIKey of (E)-1-methoxyhex-3-ene?
The InChIKey is KUPODEXLSGEWFR-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (E)-1-methoxyhex-3-ene?
(E)-1-methoxyhex-3-ene has a molecular weight of 114.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyhex-3-ene is sourced from PubChem (CID 5364208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).