(3E)-1-(methoxymethoxy)penta-1,3-diene

C7H12O2 — CID 134890511

IUPAC(3E)-1-(methoxymethoxy)penta-1,3-diene
SMILESC/C=C/C=COCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h3-6H,7H2,1-2H3/b4-3+,6-5?
InChIKeyVWARXCCHZLATFG-WAVJCGAHSA-N
MW128.17 g/mol
LogP1.70
Rot. Bonds4

About (3E)-1-(methoxymethoxy)penta-1,3-diene

(3E)-1-(methoxymethoxy)penta-1,3-diene (PubChem CID 134890511) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3E)-1-(methoxymethoxy)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-1-(methoxymethoxy)penta-1,3-diene
PubChem CID134890511
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3E)-1-(methoxymethoxy)penta-1,3-diene
SMILESC/C=C/C=COCOC
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h3-6H,7H2,1-2H3/b4-3+,6-5?
InChIKeyVWARXCCHZLATFG-WAVJCGAHSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(methoxymethoxy)prop-1-ene;zinc;bromide
CID 101021696
CID 101086860
CID 101086860
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
2-penta-1,3-dienoxyethanol
CID 172693400
(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 134978986
(4E)-hexa-2,4-diene
CID 22435466
(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
CID 100935806
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
CID 163205994
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
N-(penta-1,3-dienoxymethyliminomethyl)methanimidoyl chloride
CID 129317623

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(methoxymethoxy)penta-1,3-diene?
The IUPAC name of (3E)-1-(methoxymethoxy)penta-1,3-diene (CID 134890511) is (3E)-1-(methoxymethoxy)penta-1,3-diene.
What is the SMILES notation for (3E)-1-(methoxymethoxy)penta-1,3-diene?
The canonical SMILES for (3E)-1-(methoxymethoxy)penta-1,3-diene is C/C=C/C=COCOC.
What is the InChIKey of (3E)-1-(methoxymethoxy)penta-1,3-diene?
The InChIKey is VWARXCCHZLATFG-WAVJCGAHSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-6-9-7-8-2/h3-6H,7H2,1-2H3/b4-3+,6-5?.
What are the key properties of (3E)-1-(methoxymethoxy)penta-1,3-diene?
(3E)-1-(methoxymethoxy)penta-1,3-diene has a molecular weight of 128.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(methoxymethoxy)penta-1,3-diene is sourced from PubChem (CID 134890511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).