(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene

C11H20O — CID 143801880

IUPAC(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
SMILESCC/C(COC)=C(/C)C=C(C)C
InChIInChI=1S/C11H20O/c1-6-11(8-12-5)10(4)7-9(2)3/h7H,6,8H2,1-5H3/b11-10+
InChIKeyGDJMBNCTVITIRJ-ZHACJKMWSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds4

About (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene

(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene (PubChem CID 143801880) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
PubChem CID143801880
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
SMILESCC/C(COC)=C(/C)C=C(C)C
InChIInChI=1S/C11H20O/c1-6-11(8-12-5)10(4)7-9(2)3/h7H,6,8H2,1-5H3/b11-10+
InChIKeyGDJMBNCTVITIRJ-ZHACJKMWSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 143323288
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186
(2Z)-3-(methoxymethyl)-5-methylhexa-2,4-dienoic acid
CID 101175528
5-ethyl-3-(methoxymethyl)hepta-2,4-diene
CID 123423064
methyl (Z)-3-(methoxymethyl)-2-(methyliminomethyl)pent-2-enoate
CID 170745847
1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene
CID 19985307
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene
CID 166655064
(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
CID 126639572
acetaldehyde;1-methoxybutan-2-one
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methoxyethane;1-methoxypropan-2-one
CID 159894285
butan-2-one;4-methylpent-3-en-2-one
CID 87594966

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene?
The IUPAC name of (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene (CID 143801880) is (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene.
What is the SMILES notation for (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene?
The canonical SMILES for (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene is CC/C(COC)=C(/C)C=C(C)C.
What is the InChIKey of (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene?
The InChIKey is GDJMBNCTVITIRJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(8-12-5)10(4)7-9(2)3/h7H,6,8H2,1-5H3/b11-10+.
What are the key properties of (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene?
(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene is sourced from PubChem (CID 143801880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).