(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene

C13H20O — CID 130337292

IUPAC(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C(=C)OC)C(C)(C)C
InChIInChI=1S/C13H20O/c1-7-8-9-12(13(3,4)5)10-11(2)14-6/h7-10H,1-2H2,3-6H3/b9-8-,12-10+
InChIKeyJFMOKVNZEXMKMP-LVQHWDRTSA-N
MW192.30 g/mol
LogP3.86
Rot. Bonds4

About (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene

(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene (PubChem CID 130337292) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
PubChem CID130337292
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C(=C)OC)C(C)(C)C
InChIInChI=1S/C13H20O/c1-7-8-9-12(13(3,4)5)10-11(2)14-6/h7-10H,1-2H2,3-6H3/b9-8-,12-10+
InChIKeyJFMOKVNZEXMKMP-LVQHWDRTSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.86
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

6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
2,4-dimethoxypenta-1,3-diene
CID 90861204
(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene
CID 89066005
(3E,5Z)-2-chloro-4-methoxyocta-1,3,5,7-tetraene
CID 89328698
8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
CID 123743663
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425
[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
CID 134462409
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene (CID 130337292) is (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene is C=C/C=C\C(=C/C(=C)OC)C(C)(C)C.
What is the InChIKey of (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene?
The InChIKey is JFMOKVNZEXMKMP-LVQHWDRTSA-N. The full InChI is InChI=1S/C13H20O/c1-7-8-9-12(13(3,4)5)10-11(2)14-6/h7-10H,1-2H2,3-6H3/b9-8-,12-10+.
What are the key properties of (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene?
(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene has a molecular weight of 192.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene is sourced from PubChem (CID 130337292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).