15-bromopentadecan-1-ol

C15H31BrO — CID 543850

IUPAC15-bromopentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCBr
InChIInChI=1S/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2
InChIKeyNFKUZUMZRQLYCW-UHFFFAOYSA-N
MW307.32 g/mol
LogP5.44
Rot. Bonds14

About 15-bromopentadecan-1-ol

15-bromopentadecan-1-ol (PubChem CID 543850) has the molecular formula C15H31BrO and a molecular weight of 307.32 g/mol. Its IUPAC name is 15-bromopentadecan-1-ol.

Molecular Properties

Compound Name15-bromopentadecan-1-ol
PubChem CID543850
Molecular FormulaC15H31BrO
Molecular Weight307.32 g/mol
Exact Mass306.16
IUPAC Name15-bromopentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCBr
InChIInChI=1S/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2
InChIKeyNFKUZUMZRQLYCW-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.32
LogP ≤ 55.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 15-bromopentadecan-1-ol?
The IUPAC name of 15-bromopentadecan-1-ol (CID 543850) is 15-bromopentadecan-1-ol.
What is the SMILES notation for 15-bromopentadecan-1-ol?
The canonical SMILES for 15-bromopentadecan-1-ol is OCCCCCCCCCCCCCCCBr.
What is the InChIKey of 15-bromopentadecan-1-ol?
The InChIKey is NFKUZUMZRQLYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2.
What are the key properties of 15-bromopentadecan-1-ol?
15-bromopentadecan-1-ol has a molecular weight of 307.32 g/mol, XLogP of 5.44, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromopentadecan-1-ol is sourced from PubChem (CID 543850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).