(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene

C17H30O2 — CID 129173068

IUPAC(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene
SMILESC=C/C(=C\C=C\CCCCOC(C)OC)C(C)(C)C
InChIInChI=1S/C17H30O2/c1-7-16(17(3,4)5)13-11-9-8-10-12-14-19-15(2)18-6/h7,9,11,13,15H,1,8,10,12,14H2,2-6H3/b11-9+,16-13+
InChIKeyLCCZEZLUTQUKSN-BNUVGFPPSA-N
MW266.42 g/mol
LogP4.88
Rot. Bonds9

About (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene

(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene (PubChem CID 129173068) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene
PubChem CID129173068
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene
SMILESC=C/C(=C\C=C\CCCCOC(C)OC)C(C)(C)C
InChIInChI=1S/C17H30O2/c1-7-16(17(3,4)5)13-11-9-8-10-12-14-19-15(2)18-6/h7,9,11,13,15H,1,8,10,12,14H2,2-6H3/b11-9+,16-13+
InChIKeyLCCZEZLUTQUKSN-BNUVGFPPSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

12-(1-methoxyethoxy)dodecyl formate
CID 87852250
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
(E)-1-(1-ethoxyethoxy)heptadec-8-ene
CID 10496409
(3E,5E)-3-(1-butoxyethyl)-5-tert-butylhepta-1,3,5-triene
CID 88565332
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
5,5-dimethyl-1-[1-(2-methylbutan-2-yloxy)ethoxy]heptane
CID 130241052
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
1-methoxyethoxymethyl prop-2-enoate
CID 22235292
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene?
The IUPAC name of (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene (CID 129173068) is (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene.
What is the SMILES notation for (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene?
The canonical SMILES for (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene is C=C/C(=C\C=C\CCCCOC(C)OC)C(C)(C)C.
What is the InChIKey of (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene?
The InChIKey is LCCZEZLUTQUKSN-BNUVGFPPSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-16(17(3,4)5)13-11-9-8-10-12-14-19-15(2)18-6/h7,9,11,13,15H,1,8,10,12,14H2,2-6H3/b11-9+,16-13+.
What are the key properties of (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene?
(3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene has a molecular weight of 266.42 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-tert-butyl-10-(1-methoxyethoxy)deca-1,3,5-triene is sourced from PubChem (CID 129173068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).