(E)-1-(methoxymethoxy)oct-2-ene

C10H20O2 — CID 5364221

IUPAC(E)-1-(methoxymethoxy)oct-2-ene
SMILESCCCCC/C=C/COCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyFCCBDYUHRQJWDW-BQYQJAHWSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds8

About (E)-1-(methoxymethoxy)oct-2-ene

(E)-1-(methoxymethoxy)oct-2-ene (PubChem CID 5364221) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1-(methoxymethoxy)oct-2-ene.

Molecular Properties

Compound Name(E)-1-(methoxymethoxy)oct-2-ene
PubChem CID5364221
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1-(methoxymethoxy)oct-2-ene
SMILESCCCCC/C=C/COCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyFCCBDYUHRQJWDW-BQYQJAHWSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citral diethyl acetal
CID 5365794
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Dimethoxyhex-2-ene, (2E)-
CID 6436486
Citral dimethyl acetal
CID 24191
1,1-Diethoxyhex-2-ene
CID 93366
Geranial dimethyl acetal
CID 5352435
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
CID 5352436
Neral diethyl acetal
CID 5772036
2,6-Nonadienal diethyl acetal
CID 6437114

Frequently Asked Questions

What is the IUPAC name of (E)-1-(methoxymethoxy)oct-2-ene?
The IUPAC name of (E)-1-(methoxymethoxy)oct-2-ene (CID 5364221) is (E)-1-(methoxymethoxy)oct-2-ene.
What is the SMILES notation for (E)-1-(methoxymethoxy)oct-2-ene?
The canonical SMILES for (E)-1-(methoxymethoxy)oct-2-ene is CCCCC/C=C/COCOC.
What is the InChIKey of (E)-1-(methoxymethoxy)oct-2-ene?
The InChIKey is FCCBDYUHRQJWDW-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(methoxymethoxy)oct-2-ene?
(E)-1-(methoxymethoxy)oct-2-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(methoxymethoxy)oct-2-ene is sourced from PubChem (CID 5364221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).