(3Z)-3-(3-bromopropoxy)penta-1,3-diene

C8H13BrO — CID 58983829

IUPAC(3Z)-3-(3-bromopropoxy)penta-1,3-diene
SMILESC=C/C(=C/C)OCCCBr
InChIInChI=1S/C8H13BrO/c1-3-8(4-2)10-7-5-6-9/h3-4H,1,5-7H2,2H3/b8-4-
InChIKeyHWFDYIAUEWIEBM-YWEYNIOJSA-N
MW205.09 g/mol
LogP2.88
Rot. Bonds5

About (3Z)-3-(3-bromopropoxy)penta-1,3-diene

(3Z)-3-(3-bromopropoxy)penta-1,3-diene (PubChem CID 58983829) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is (3Z)-3-(3-bromopropoxy)penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-(3-bromopropoxy)penta-1,3-diene
PubChem CID58983829
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name(3Z)-3-(3-bromopropoxy)penta-1,3-diene
SMILESC=C/C(=C/C)OCCCBr
InChIInChI=1S/C8H13BrO/c1-3-8(4-2)10-7-5-6-9/h3-4H,1,5-7H2,2H3/b8-4-
InChIKeyHWFDYIAUEWIEBM-YWEYNIOJSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-bromopropoxy)penta-1,3-diene?
The IUPAC name of (3Z)-3-(3-bromopropoxy)penta-1,3-diene (CID 58983829) is (3Z)-3-(3-bromopropoxy)penta-1,3-diene.
What is the SMILES notation for (3Z)-3-(3-bromopropoxy)penta-1,3-diene?
The canonical SMILES for (3Z)-3-(3-bromopropoxy)penta-1,3-diene is C=C/C(=C/C)OCCCBr.
What is the InChIKey of (3Z)-3-(3-bromopropoxy)penta-1,3-diene?
The InChIKey is HWFDYIAUEWIEBM-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H13BrO/c1-3-8(4-2)10-7-5-6-9/h3-4H,1,5-7H2,2H3/b8-4-.
What are the key properties of (3Z)-3-(3-bromopropoxy)penta-1,3-diene?
(3Z)-3-(3-bromopropoxy)penta-1,3-diene has a molecular weight of 205.09 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-bromopropoxy)penta-1,3-diene is sourced from PubChem (CID 58983829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).