(E)-1-methoxyhex-2-en-1-ol

C7H14O2 — CID 130131054

IUPAC(E)-1-methoxyhex-2-en-1-ol
SMILESCCC/C=C/C(O)OC
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyBGEQLHYMIDHRAX-AATRIKPKSA-N
MW130.19 g/mol
LogP1.31
Rot. Bonds4

About (E)-1-methoxyhex-2-en-1-ol

(E)-1-methoxyhex-2-en-1-ol (PubChem CID 130131054) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-methoxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-methoxyhex-2-en-1-ol
PubChem CID130131054
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-1-methoxyhex-2-en-1-ol
SMILESCCC/C=C/C(O)OC
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyBGEQLHYMIDHRAX-AATRIKPKSA-N
XLogP1.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhex-2-en-1-ol?
The IUPAC name of (E)-1-methoxyhex-2-en-1-ol (CID 130131054) is (E)-1-methoxyhex-2-en-1-ol.
What is the SMILES notation for (E)-1-methoxyhex-2-en-1-ol?
The canonical SMILES for (E)-1-methoxyhex-2-en-1-ol is CCC/C=C/C(O)OC.
What is the InChIKey of (E)-1-methoxyhex-2-en-1-ol?
The InChIKey is BGEQLHYMIDHRAX-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h5-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-methoxyhex-2-en-1-ol?
(E)-1-methoxyhex-2-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyhex-2-en-1-ol is sourced from PubChem (CID 130131054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).