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

C6H10O2 — CID 134980799

IUPAC(1E)-1-(methoxymethoxy)buta-1,3-diene
SMILESC=C/C=C/OCOC
InChIInChI=1S/C6H10O2/c1-3-4-5-8-6-7-2/h3-5H,1,6H2,2H3/b5-4+
InChIKeyWXQQWFCSJKDNLW-SNAWJCMRSA-N
MW114.14 g/mol
LogP1.31
Rot. Bonds4

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

(1E)-1-(methoxymethoxy)buta-1,3-diene (PubChem CID 134980799) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1E)-1-(methoxymethoxy)buta-1,3-diene.

Molecular Properties

Compound Name(1E)-1-(methoxymethoxy)buta-1,3-diene
PubChem CID134980799
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1E)-1-(methoxymethoxy)buta-1,3-diene
SMILESC=C/C=C/OCOC
InChIInChI=1S/C6H10O2/c1-3-4-5-8-6-7-2/h3-5H,1,6H2,2H3/b5-4+
InChIKeyWXQQWFCSJKDNLW-SNAWJCMRSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.31
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

1,4-Dimethoxy-1,3-butadiene
CID 5362907
(1Z,3E)-1,4-dimethoxy-1,3-butadiene
CID 10558596
1,3-Dioxepin
CID 136142
1,3-Butadiene, 1,4-dimethoxy-
CID 535247
1,3-Butadiene, 1,4-dimethoxy-, (Z,Z)-
CID 5362908
Dimethyl(E)-1-propenyl orthoacetate
CID 5463432
(E)-1-(1-ethoxyethoxy)prop-1-ene
CID 12739580
1,1-Dimethoxy-1,3-butadiene
CID 12476837
(1E)-1,3-butadienyl ethyl carbonate
CID 14526789
Divinyloxypropene
CID 129742392
(4Z,6Z,8Z)-1,3-dioxonine
CID 139242705
Dimethyl(E)-1-propenyl orthoformate
CID 5463430

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(methoxymethoxy)buta-1,3-diene?
The IUPAC name of (1E)-1-(methoxymethoxy)buta-1,3-diene (CID 134980799) is (1E)-1-(methoxymethoxy)buta-1,3-diene.
What is the SMILES notation for (1E)-1-(methoxymethoxy)buta-1,3-diene?
The canonical SMILES for (1E)-1-(methoxymethoxy)buta-1,3-diene is C=C/C=C/OCOC.
What is the InChIKey of (1E)-1-(methoxymethoxy)buta-1,3-diene?
The InChIKey is WXQQWFCSJKDNLW-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-5-8-6-7-2/h3-5H,1,6H2,2H3/b5-4+.
What are the key properties of (1E)-1-(methoxymethoxy)buta-1,3-diene?
(1E)-1-(methoxymethoxy)buta-1,3-diene has a molecular weight of 114.14 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(methoxymethoxy)buta-1,3-diene is sourced from PubChem (CID 134980799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).