(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene

C9H16O2 — CID 134995353

IUPAC(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
SMILESCOCO/C=C/C=C/C(C)C
InChIInChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4-7,9H,8H2,1-3H3/b6-4+,7-5+
InChIKeyLXJVAVOIFXKDMN-YDFGWWAZSA-N
MW156.22 g/mol
LogP2.33
Rot. Bonds5

About (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene

(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene (PubChem CID 134995353) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
PubChem CID134995353
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
SMILESCOCO/C=C/C=C/C(C)C
InChIInChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4-7,9H,8H2,1-3H3/b6-4+,7-5+
InChIKeyLXJVAVOIFXKDMN-YDFGWWAZSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.33
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

5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
5-(Dimethoxymethyl)-1,3-cyclopentadiene
CID 10888003
(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene
CID 13097476
7-(Dimethoxymethyl)cyclohepta-1,3,5-triene
CID 291111
Mqhnqgseoltgbk-rsiyvsqusa-
CID 13097479
(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene
CID 87835398
(1E,3Z,5E)-1-butoxy-7-methylocta-1,3,5-triene
CID 88539087
(3Z,5Z)-1,1-dimethoxyocta-3,5-diene
CID 88745240
(2E,4Z,6E)-7-(methoxymethoxy)-4-methylhepta-2,4,6-trien-2-ol
CID 89301687
(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene
CID 89324350
1-Methoxy-2,5-dimethylocta-1,3,6-triene
CID 91275969
(E)-5,5-dimethoxy-4-methylpent-2-ene
CID 117723689

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene?
The IUPAC name of (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene (CID 134995353) is (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene.
What is the SMILES notation for (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene?
The canonical SMILES for (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene is COCO/C=C/C=C/C(C)C.
What is the InChIKey of (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene?
The InChIKey is LXJVAVOIFXKDMN-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)6-4-5-7-11-8-10-3/h4-7,9H,8H2,1-3H3/b6-4+,7-5+.
What are the key properties of (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene?
(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene has a molecular weight of 156.22 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene is sourced from PubChem (CID 134995353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).