(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane

C11H17Br — CID 144847010

IUPAC(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C=C(C)\C=C(\Br)C=C.CC
InChIInChI=1S/C9H11Br.C2H6/c1-4-6-8(3)7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;
InChIKeyZUYVFBPSHUWGFH-JYWQNNPFSA-N
MW229.16 g/mol
LogP4.61
Rot. Bonds3

About (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane

(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane (PubChem CID 144847010) has the molecular formula C11H17Br and a molecular weight of 229.16 g/mol. Its IUPAC name is (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane.

Molecular Properties

Compound Name(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
PubChem CID144847010
Molecular FormulaC11H17Br
Molecular Weight229.16 g/mol
Exact Mass228.05
IUPAC Name(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C=C(C)\C=C(\Br)C=C.CC
InChIInChI=1S/C9H11Br.C2H6/c1-4-6-8(3)7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;
InChIKeyZUYVFBPSHUWGFH-JYWQNNPFSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
CID 123150055
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
(3Z,5E)-6-hydroperoxy-4-methylhepta-1,3,5-triene
CID 145263445
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
CID 118001222
(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene
CID 142904672
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane?
The IUPAC name of (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane (CID 144847010) is (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane.
What is the SMILES notation for (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane?
The canonical SMILES for (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane is C=C/C=C(C)\C=C(\Br)C=C.CC.
What is the InChIKey of (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane?
The InChIKey is ZUYVFBPSHUWGFH-JYWQNNPFSA-N. The full InChI is InChI=1S/C9H11Br.C2H6/c1-4-6-8(3)7-9(10)5-2;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6-,9-7+;.
What are the key properties of (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane?
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane has a molecular weight of 229.16 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane is sourced from PubChem (CID 144847010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).