(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene

C10H13BrO — CID 142904672

IUPAC(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene
SMILESC=C/C(Br)=C\C(C)=C(/C=C)OC
InChIInChI=1S/C10H13BrO/c1-5-9(11)7-8(3)10(6-2)12-4/h5-7H,1-2H2,3-4H3/b9-7+,10-8+
InChIKeyHCMWTNFMRVKYDO-FIFLTTCUSA-N
MW229.12 g/mol
LogP3.56
Rot. Bonds4

About (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene

(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene (PubChem CID 142904672) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene
PubChem CID142904672
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene
SMILESC=C/C(Br)=C\C(C)=C(/C=C)OC
InChIInChI=1S/C10H13BrO/c1-5-9(11)7-8(3)10(6-2)12-4/h5-7H,1-2H2,3-4H3/b9-7+,10-8+
InChIKeyHCMWTNFMRVKYDO-FIFLTTCUSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene (CID 142904672) is (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene is C=C/C(Br)=C\C(C)=C(/C=C)OC.
What is the InChIKey of (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene?
The InChIKey is HCMWTNFMRVKYDO-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H13BrO/c1-5-9(11)7-8(3)10(6-2)12-4/h5-7H,1-2H2,3-4H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene?
(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene has a molecular weight of 229.12 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene is sourced from PubChem (CID 142904672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).