(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene

C9H16O2 — CID 100937484

IUPAC(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene
SMILESC=C(C)/C=C/CCOCOC
InChIInChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4,6H,1,5,7-8H2,2-3H3/b6-4+
InChIKeyUJAPHDUFDSIAJG-GQCTYLIASA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds6

About (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene

(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene (PubChem CID 100937484) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene
PubChem CID100937484
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene
SMILESC=C(C)/C=C/CCOCOC
InChIInChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4,6H,1,5,7-8H2,2-3H3/b6-4+
InChIKeyUJAPHDUFDSIAJG-GQCTYLIASA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene?
The IUPAC name of (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene (CID 100937484) is (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene.
What is the SMILES notation for (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene?
The canonical SMILES for (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene is C=C(C)/C=C/CCOCOC.
What is the InChIKey of (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene?
The InChIKey is UJAPHDUFDSIAJG-GQCTYLIASA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4,6H,1,5,7-8H2,2-3H3/b6-4+.
What are the key properties of (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene?
(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene is sourced from PubChem (CID 100937484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).