(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene

C10H16O — CID 143876381

IUPAC(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
SMILESC=C(/C=C(/C)C(=C)C)OCC
InChIInChI=1S/C10H16O/c1-6-11-10(5)7-9(4)8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyGEJJWEBMABQVID-CLFYSBASSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds4

About (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene

(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene (PubChem CID 143876381) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
PubChem CID143876381
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
SMILESC=C(/C=C(/C)C(=C)C)OCC
InChIInChI=1S/C10H16O/c1-6-11-10(5)7-9(4)8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyGEJJWEBMABQVID-CLFYSBASSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
(3E)-3-ethoxy-5-fluoro-2-methylhexa-1,3,5-triene
CID 143876439
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
ethyl 2-methylprop-2-enoate
CID 130475774
(2E)-4-ethoxypenta-2,4-dienoic acid
CID 87744766
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
4-ethoxypenta-2,4-dienoic acid
CID 57246657
(3E)-2-bromo-4-ethoxyhexa-1,3-diene
CID 134176188
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene?
The IUPAC name of (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene (CID 143876381) is (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene is C=C(/C=C(/C)C(=C)C)OCC.
What is the InChIKey of (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene?
The InChIKey is GEJJWEBMABQVID-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16O/c1-6-11-10(5)7-9(4)8(2)3/h7H,2,5-6H2,1,3-4H3/b9-7-.
What are the key properties of (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene?
(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene is sourced from PubChem (CID 143876381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).