(E)-1-methoxyhex-2-ene

C7H14O — CID 5366215

IUPAC(E)-1-methoxyhex-2-ene
SMILESCCC/C=C/COC
InChIInChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyKCUBTOJYCKJIDC-AATRIKPKSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds4

About (E)-1-methoxyhex-2-ene

(E)-1-methoxyhex-2-ene (PubChem CID 5366215) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-1-methoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1-methoxyhex-2-ene
PubChem CID5366215
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-1-methoxyhex-2-ene
SMILESCCC/C=C/COC
InChIInChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyKCUBTOJYCKJIDC-AATRIKPKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-methoxynon-2-ene
CID 12563927
(E)-1-methoxytridec-2-ene
CID 13441703
(E)-1-methoxyhept-3-ene
CID 13049937
1-methoxypent-2-ene
CID 551185
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
tetrakis(hex-2-enyl) silicate
CID 54207943
(E)-1-methoxypent-2-ene;1-methoxypropane
CID 159933268
CID 57482386
CID 57482386
(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
[(E)-hex-2-enoxy]methanediol
CID 138520161

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhex-2-ene?
The IUPAC name of (E)-1-methoxyhex-2-ene (CID 5366215) is (E)-1-methoxyhex-2-ene.
What is the SMILES notation for (E)-1-methoxyhex-2-ene?
The canonical SMILES for (E)-1-methoxyhex-2-ene is CCC/C=C/COC.
What is the InChIKey of (E)-1-methoxyhex-2-ene?
The InChIKey is KCUBTOJYCKJIDC-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-5-6-7-8-2/h5-6H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of (E)-1-methoxyhex-2-ene?
(E)-1-methoxyhex-2-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-2-ene is sourced from PubChem (CID 5366215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).