(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene

C16H24Br2O — CID 101047839

IUPAC(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene
SMILESC=C/C(Br)=C/CC(CC)OC(CC)C/C=C(\Br)C=C
InChIInChI=1S/C16H24Br2O/c1-5-13(17)9-11-15(7-3)19-16(8-4)12-10-14(18)6-2/h5-6,9-10,15-16H,1-2,7-8,11-12H2,3-4H3/b13-9-,14-10-
InChIKeyBTGYOTGKSBSCFW-FOIMCPNXSA-N
MW392.18 g/mol
LogP6.27
Rot. Bonds10

About (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene

(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene (PubChem CID 101047839) has the molecular formula C16H24Br2O and a molecular weight of 392.18 g/mol. Its IUPAC name is (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene
PubChem CID101047839
Molecular FormulaC16H24Br2O
Molecular Weight392.18 g/mol
Exact Mass390.02
IUPAC Name(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene
SMILESC=C/C(Br)=C/CC(CC)OC(CC)C/C=C(\Br)C=C
InChIInChI=1S/C16H24Br2O/c1-5-13(17)9-11-15(7-3)19-16(8-4)12-10-14(18)6-2/h5-6,9-10,15-16H,1-2,7-8,11-12H2,3-4H3/b13-9-,14-10-
InChIKeyBTGYOTGKSBSCFW-FOIMCPNXSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene with MolForge

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Related Compounds

2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
(E)-5-methoxy-2-methylhept-2-enoic acid
CID 87143221
tri(butan-2-yl)silylmethyl prop-2-enoate
CID 141363387
[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 175965047
[hydroxy(pentan-3-yloxy)phosphoryl]oxymethyl prop-2-enoate
CID 175583316
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
1-dimethylsilyloxybutan-2-yl prop-2-enoate
CID 173371383
1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
CID 18949618

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene?
The IUPAC name of (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene (CID 101047839) is (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene.
What is the SMILES notation for (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene?
The canonical SMILES for (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene is C=C/C(Br)=C/CC(CC)OC(CC)C/C=C(\Br)C=C.
What is the InChIKey of (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene?
The InChIKey is BTGYOTGKSBSCFW-FOIMCPNXSA-N. The full InChI is InChI=1S/C16H24Br2O/c1-5-13(17)9-11-15(7-3)19-16(8-4)12-10-14(18)6-2/h5-6,9-10,15-16H,1-2,7-8,11-12H2,3-4H3/b13-9-,14-10-.
What are the key properties of (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene?
(3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene has a molecular weight of 392.18 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-bromo-6-[(5Z)-6-bromoocta-5,7-dien-3-yl]oxyocta-1,3-diene is sourced from PubChem (CID 101047839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).