(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene

C17H30O3 — CID 145122200

IUPAC(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene
SMILESC=C(C)/C=C(/OCCOC)C(=C)C(C)CCC(C)OC
InChIInChI=1S/C17H30O3/c1-13(2)12-17(20-11-10-18-6)16(5)14(3)8-9-15(4)19-7/h12,14-15H,1,5,8-11H2,2-4,6-7H3/b17-12+
InChIKeyWDRJBJMOPJQKIO-SFQUDFHCSA-N
MW282.42 g/mol
LogP4.12
Rot. Bonds11

About (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene

(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene (PubChem CID 145122200) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene.

Molecular Properties

Compound Name(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene
PubChem CID145122200
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene
SMILESC=C(C)/C=C(/OCCOC)C(=C)C(C)CCC(C)OC
InChIInChI=1S/C17H30O3/c1-13(2)12-17(20-11-10-18-6)16(5)14(3)8-9-15(4)19-7/h12,14-15H,1,5,8-11H2,2-4,6-7H3/b17-12+
InChIKeyWDRJBJMOPJQKIO-SFQUDFHCSA-N
XLogP4.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-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

(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
3-methoxybutoxycarbonyloxyperoxy 3-methoxybutyl carbonate
CID 91446158
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate
CID 20625798
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749
1-O-(1-hydroxyethyl) 5-O-(2-methoxyethyl) (E)-2-methyl-4-methylidenepent-2-enedioate
CID 165175582
(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
CID 89349918
2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
CID 123767208
1-hydroperoxy-3-methoxybutane
CID 18475070

Frequently Asked Questions

What is the IUPAC name of (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene?
The IUPAC name of (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene (CID 145122200) is (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene.
What is the SMILES notation for (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene?
The canonical SMILES for (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene is C=C(C)/C=C(/OCCOC)C(=C)C(C)CCC(C)OC.
What is the InChIKey of (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene?
The InChIKey is WDRJBJMOPJQKIO-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H30O3/c1-13(2)12-17(20-11-10-18-6)16(5)14(3)8-9-15(4)19-7/h12,14-15H,1,5,8-11H2,2-4,6-7H3/b17-12+.
What are the key properties of (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene?
(3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene has a molecular weight of 282.42 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-9-methoxy-4-(2-methoxyethoxy)-2,6-dimethyl-5-methylidenedeca-1,3-diene is sourced from PubChem (CID 145122200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).