(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene

C19H33Br — CID 177407414

IUPAC(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene
SMILESC=C(Br)C/C(CCC)=C(CCC)\C(=C\CCC)CCC
InChIInChI=1S/C19H33Br/c1-6-10-14-17(11-7-2)19(13-9-4)18(12-8-3)15-16(5)20/h14H,5-13,15H2,1-4H3/b17-14+,19-18-
InChIKeyREIINVKPUJRTCF-KXPRTZDXSA-N
MW341.38 g/mol
LogP7.71
Rot. Bonds11

About (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene

(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene (PubChem CID 177407414) has the molecular formula C19H33Br and a molecular weight of 341.38 g/mol. Its IUPAC name is (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene
PubChem CID177407414
Molecular FormulaC19H33Br
Molecular Weight341.38 g/mol
Exact Mass340.18
IUPAC Name(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene
SMILESC=C(Br)C/C(CCC)=C(CCC)\C(=C\CCC)CCC
InChIInChI=1S/C19H33Br/c1-6-10-14-17(11-7-2)19(13-9-4)18(12-8-3)15-16(5)20/h14H,5-13,15H2,1-4H3/b17-14+,19-18-
InChIKeyREIINVKPUJRTCF-KXPRTZDXSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 57.71
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

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CID 101430362
(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol
CID 135010987
(E)-4-bromooct-4-ene
CID 13093303
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
3-propylhept-3-en-2-one
CID 537652
4-ethyl-3-methylideneoct-4-ene
CID 54376139
2-propylhex-2-eneperoxoic acid
CID 175435177
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014
3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
CID 11771158
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
CID 135026457
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
(E)-N-dodecyl-2-propylhex-2-enamide
CID 102089072

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene?
The IUPAC name of (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene (CID 177407414) is (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene.
What is the SMILES notation for (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene?
The canonical SMILES for (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene is C=C(Br)C/C(CCC)=C(CCC)\C(=C\CCC)CCC.
What is the InChIKey of (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene?
The InChIKey is REIINVKPUJRTCF-KXPRTZDXSA-N. The full InChI is InChI=1S/C19H33Br/c1-6-10-14-17(11-7-2)19(13-9-4)18(12-8-3)15-16(5)20/h14H,5-13,15H2,1-4H3/b17-14+,19-18-.
What are the key properties of (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene?
(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene has a molecular weight of 341.38 g/mol, XLogP of 7.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene is sourced from PubChem (CID 177407414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).