13-bromotridec-1-en-3-ol

C13H25BrO — CID 86128844

IUPAC13-bromotridec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h2,13,15H,1,3-12H2
InChIKeyMKYWFDRAYHWTFE-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.44
Rot. Bonds11

About 13-bromotridec-1-en-3-ol

13-bromotridec-1-en-3-ol (PubChem CID 86128844) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 13-bromotridec-1-en-3-ol.

Molecular Properties

Compound Name13-bromotridec-1-en-3-ol
PubChem CID86128844
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name13-bromotridec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h2,13,15H,1,3-12H2
InChIKeyMKYWFDRAYHWTFE-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-bromotridec-1-en-3-ol?
The IUPAC name of 13-bromotridec-1-en-3-ol (CID 86128844) is 13-bromotridec-1-en-3-ol.
What is the SMILES notation for 13-bromotridec-1-en-3-ol?
The canonical SMILES for 13-bromotridec-1-en-3-ol is C=CC(O)CCCCCCCCCCBr.
What is the InChIKey of 13-bromotridec-1-en-3-ol?
The InChIKey is MKYWFDRAYHWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h2,13,15H,1,3-12H2.
What are the key properties of 13-bromotridec-1-en-3-ol?
13-bromotridec-1-en-3-ol has a molecular weight of 277.25 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-bromotridec-1-en-3-ol is sourced from PubChem (CID 86128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).