(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene

C14H24O — CID 145179802

IUPAC(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
SMILESC=CC(C)(/C=C\C(=C/C)OC)C(C)(C)C
InChIInChI=1S/C14H24O/c1-8-12(15-7)10-11-14(6,9-2)13(3,4)5/h8-11H,2H2,1,3-7H3/b11-10-,12-8+
InChIKeyCWTDPXRKAHIIRU-WROCRQLKSA-N
MW208.34 g/mol
LogP4.33
Rot. Bonds4

About (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene

(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene (PubChem CID 145179802) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
PubChem CID145179802
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
SMILESC=CC(C)(/C=C\C(=C/C)OC)C(C)(C)C
InChIInChI=1S/C14H24O/c1-8-12(15-7)10-11-14(6,9-2)13(3,4)5/h8-11H,2H2,1,3-7H3/b11-10-,12-8+
InChIKeyCWTDPXRKAHIIRU-WROCRQLKSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
(1Z,3E)-3-methoxyhexa-1,3,5-triene-1-thiol
CID 145478099
(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
CID 129028276
methyl 2-methoxy-2-methylpent-3-enoate
CID 151422479
(3Z,5E)-5-methoxy-2-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 166777674
dimethyl 2-(disulfanyl)-2-methylpropanedioate
CID 21141917
(2Z,4E)-6-methyl-6-sulfanylocta-2,4,7-trien-4-ol
CID 89291623
(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
CID 123219816
[2-[methoxy(methylamino)methyl]-2-methylbut-3-enylidene]-methyl-prop-1-enylazanium
CID 123832700
2-methoxy-2-methylbut-3-enoic acid
CID 164724816
(E)-3-ethenyl-3-methylhex-4-en-2-ol
CID 130122551

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene?
The IUPAC name of (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene (CID 145179802) is (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene.
What is the SMILES notation for (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene?
The canonical SMILES for (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene is C=CC(C)(/C=C\C(=C/C)OC)C(C)(C)C.
What is the InChIKey of (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene?
The InChIKey is CWTDPXRKAHIIRU-WROCRQLKSA-N. The full InChI is InChI=1S/C14H24O/c1-8-12(15-7)10-11-14(6,9-2)13(3,4)5/h8-11H,2H2,1,3-7H3/b11-10-,12-8+.
What are the key properties of (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene?
(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene has a molecular weight of 208.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene is sourced from PubChem (CID 145179802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).