(3Z,7E)-5-bromodeca-3,7-diene

C10H17Br — CID 174047229

IUPAC(3Z,7E)-5-bromodeca-3,7-diene
SMILESCC/C=C\C(Br)C/C=C/CC
InChIInChI=1S/C10H17Br/c1-3-5-7-9-10(11)8-6-4-2/h5-8,10H,3-4,9H2,1-2H3/b7-5+,8-6-
InChIKeyVJELBWQAKFRERW-YMBWGVAGSA-N
MW217.15 g/mol
LogP4.07
Rot. Bonds5

About (3Z,7E)-5-bromodeca-3,7-diene

(3Z,7E)-5-bromodeca-3,7-diene (PubChem CID 174047229) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (3Z,7E)-5-bromodeca-3,7-diene.

Molecular Properties

Compound Name(3Z,7E)-5-bromodeca-3,7-diene
PubChem CID174047229
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(3Z,7E)-5-bromodeca-3,7-diene
SMILESCC/C=C\C(Br)C/C=C/CC
InChIInChI=1S/C10H17Br/c1-3-5-7-9-10(11)8-6-4-2/h5-8,10H,3-4,9H2,1-2H3/b7-5+,8-6-
InChIKeyVJELBWQAKFRERW-YMBWGVAGSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,7E)-5-bromodeca-3,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-bromohept-3-ene
CID 10888461
(E)-1,1-dibromohex-3-ene
CID 87991794
(Z)-1,1-dibromohex-3-ene
CID 175999382
(E)-2-bromohex-3-ene
CID 15881334
(E)-5-bromododec-3-ene
CID 88753626
1-chloropent-2-en-1-ol
CID 141457215
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
1-bromonona-3,6-dienyl(triphenyl)phosphanium
CID 175818604
2-methylhept-4-en-3-ol
CID 54499499
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-5-bromodeca-3,7-diene?
The IUPAC name of (3Z,7E)-5-bromodeca-3,7-diene (CID 174047229) is (3Z,7E)-5-bromodeca-3,7-diene.
What is the SMILES notation for (3Z,7E)-5-bromodeca-3,7-diene?
The canonical SMILES for (3Z,7E)-5-bromodeca-3,7-diene is CC/C=C\C(Br)C/C=C/CC.
What is the InChIKey of (3Z,7E)-5-bromodeca-3,7-diene?
The InChIKey is VJELBWQAKFRERW-YMBWGVAGSA-N. The full InChI is InChI=1S/C10H17Br/c1-3-5-7-9-10(11)8-6-4-2/h5-8,10H,3-4,9H2,1-2H3/b7-5+,8-6-.
What are the key properties of (3Z,7E)-5-bromodeca-3,7-diene?
(3Z,7E)-5-bromodeca-3,7-diene has a molecular weight of 217.15 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-5-bromodeca-3,7-diene is sourced from PubChem (CID 174047229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).