2-bromotetradeca-1,13-dien-4-ol

C14H25BrO — CID 13029018

IUPAC2-bromotetradeca-1,13-dien-4-ol
SMILESC=CCCCCCCCCC(O)CC(=C)Br
InChIInChI=1S/C14H25BrO/c1-3-4-5-6-7-8-9-10-11-14(16)12-13(2)15/h3,14,16H,1-2,4-12H2
InChIKeyJRUWZYFHRZSREZ-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.95
Rot. Bonds11

About 2-bromotetradeca-1,13-dien-4-ol

2-bromotetradeca-1,13-dien-4-ol (PubChem CID 13029018) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-bromotetradeca-1,13-dien-4-ol.

Molecular Properties

Compound Name2-bromotetradeca-1,13-dien-4-ol
PubChem CID13029018
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name2-bromotetradeca-1,13-dien-4-ol
SMILESC=CCCCCCCCCC(O)CC(=C)Br
InChIInChI=1S/C14H25BrO/c1-3-4-5-6-7-8-9-10-11-14(16)12-13(2)15/h3,14,16H,1-2,4-12H2
InChIKeyJRUWZYFHRZSREZ-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromotetradeca-1,13-dien-4-ol?
The IUPAC name of 2-bromotetradeca-1,13-dien-4-ol (CID 13029018) is 2-bromotetradeca-1,13-dien-4-ol.
What is the SMILES notation for 2-bromotetradeca-1,13-dien-4-ol?
The canonical SMILES for 2-bromotetradeca-1,13-dien-4-ol is C=CCCCCCCCCC(O)CC(=C)Br.
What is the InChIKey of 2-bromotetradeca-1,13-dien-4-ol?
The InChIKey is JRUWZYFHRZSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-3-4-5-6-7-8-9-10-11-14(16)12-13(2)15/h3,14,16H,1-2,4-12H2.
What are the key properties of 2-bromotetradeca-1,13-dien-4-ol?
2-bromotetradeca-1,13-dien-4-ol has a molecular weight of 289.26 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromotetradeca-1,13-dien-4-ol is sourced from PubChem (CID 13029018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).