(E)-1,1-dimethoxyhex-2-ene

C8H16O2 — CID 6436486

IUPAC(E)-1,1-dimethoxyhex-2-ene
SMILESCCC/C=C/C(OC)OC
InChIInChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyOSVRJMZINDGZFB-VOTSOKGWSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds5

About (E)-1,1-dimethoxyhex-2-ene

(E)-1,1-dimethoxyhex-2-ene (PubChem CID 6436486) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-1,1-dimethoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1,1-dimethoxyhex-2-ene
PubChem CID6436486
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-1,1-dimethoxyhex-2-ene
SMILESCCC/C=C/C(OC)OC
InChIInChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyOSVRJMZINDGZFB-VOTSOKGWSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
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)-1,1-dimethoxyhex-2-ene?
The IUPAC name of (E)-1,1-dimethoxyhex-2-ene (CID 6436486) is (E)-1,1-dimethoxyhex-2-ene.
What is the SMILES notation for (E)-1,1-dimethoxyhex-2-ene?
The canonical SMILES for (E)-1,1-dimethoxyhex-2-ene is CCC/C=C/C(OC)OC.
What is the InChIKey of (E)-1,1-dimethoxyhex-2-ene?
The InChIKey is OSVRJMZINDGZFB-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-1,1-dimethoxyhex-2-ene?
(E)-1,1-dimethoxyhex-2-ene has a molecular weight of 144.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-dimethoxyhex-2-ene is sourced from PubChem (CID 6436486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).