(4Z)-4-(methoxymethoxy)hexa-1,4-diene

C8H14O2 — CID 100937483

IUPAC(4Z)-4-(methoxymethoxy)hexa-1,4-diene
SMILESC=CC/C(=C/C)OCOC
InChIInChI=1S/C8H14O2/c1-4-6-8(5-2)10-7-9-3/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeyOCIDQSMLOSRCHM-YVMONPNESA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds5

About (4Z)-4-(methoxymethoxy)hexa-1,4-diene

(4Z)-4-(methoxymethoxy)hexa-1,4-diene (PubChem CID 100937483) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4Z)-4-(methoxymethoxy)hexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-4-(methoxymethoxy)hexa-1,4-diene
PubChem CID100937483
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4Z)-4-(methoxymethoxy)hexa-1,4-diene
SMILESC=CC/C(=C/C)OCOC
InChIInChI=1S/C8H14O2/c1-4-6-8(5-2)10-7-9-3/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeyOCIDQSMLOSRCHM-YVMONPNESA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

(4Z)-4-iodohexa-1,4-diene
CID 88547743
4-ethenylhexa-1,4-diene
CID 85441048
(5E)-5-methoxyhepta-1,5-diene
CID 88979708
2-methoxypenta-1,4-diene
CID 12625760
(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol
CID 15417235
2-(methoxymethoxy)but-1-ene
CID 13107534
methoxymethyl (E)-6-oxohept-3-enoate
CID 153279843
1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-one
CID 105083103
5-amino-7-methoxyhept-1-en-4-one
CID 116567168
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
dimethoxymethane;methyl prop-2-enoate
CID 162245850
(Z)-2-prop-2-enoxybut-2-enal
CID 87497193

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethoxy)hexa-1,4-diene?
The IUPAC name of (4Z)-4-(methoxymethoxy)hexa-1,4-diene (CID 100937483) is (4Z)-4-(methoxymethoxy)hexa-1,4-diene.
What is the SMILES notation for (4Z)-4-(methoxymethoxy)hexa-1,4-diene?
The canonical SMILES for (4Z)-4-(methoxymethoxy)hexa-1,4-diene is C=CC/C(=C/C)OCOC.
What is the InChIKey of (4Z)-4-(methoxymethoxy)hexa-1,4-diene?
The InChIKey is OCIDQSMLOSRCHM-YVMONPNESA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-8(5-2)10-7-9-3/h4-5H,1,6-7H2,2-3H3/b8-5-.
What are the key properties of (4Z)-4-(methoxymethoxy)hexa-1,4-diene?
(4Z)-4-(methoxymethoxy)hexa-1,4-diene has a molecular weight of 142.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethoxy)hexa-1,4-diene is sourced from PubChem (CID 100937483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).