(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene

C10H18O2 — CID 142272452

IUPAC(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
SMILESCC/C(=C\C(OC)=C(C)C)OC
InChIInChI=1S/C10H18O2/c1-6-9(11-4)7-10(12-5)8(2)3/h7H,6H2,1-5H3/b9-7+
InChIKeyCSGIJGCLQIHWJG-VQHVLOKHSA-N
MW170.25 g/mol
LogP2.87
Rot. Bonds4

About (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene

(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene (PubChem CID 142272452) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene.

Molecular Properties

Compound Name(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
PubChem CID142272452
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
SMILESCC/C(=C\C(OC)=C(C)C)OC
InChIInChI=1S/C10H18O2/c1-6-9(11-4)7-10(12-5)8(2)3/h7H,6H2,1-5H3/b9-7+
InChIKeyCSGIJGCLQIHWJG-VQHVLOKHSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E)-4-bromo-6-methoxyocta-3,5-dien-3-ol
CID 166942881
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
CID 15475218
(2E,4E)-5-methoxyhepta-2,4-diene-2-thiol
CID 143901449
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
CID 143436311
1-N'-[(3E)-4-methoxyhexa-1,3-dien-2-yl]ethane-1,1-diamine
CID 146336569
(E,2Z)-2-(1-bromopropylidene)-4-methoxyhex-3-enoic acid
CID 121242416
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
N-[(3E)-4-methoxyhexa-1,3-dien-2-yl]-N-methylmethanesulfonamide
CID 163806945
methyl (Z)-3-methylpent-2-enoate
CID 12524083

Frequently Asked Questions

What is the IUPAC name of (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene?
The IUPAC name of (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene (CID 142272452) is (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene.
What is the SMILES notation for (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene?
The canonical SMILES for (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene is CC/C(=C\C(OC)=C(C)C)OC.
What is the InChIKey of (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene?
The InChIKey is CSGIJGCLQIHWJG-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-9(11-4)7-10(12-5)8(2)3/h7H,6H2,1-5H3/b9-7+.
What are the key properties of (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene?
(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene has a molecular weight of 170.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,5-dimethoxy-2-methylhepta-2,4-diene is sourced from PubChem (CID 142272452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).