1-bromopentadecane

C15H31Br — CID 12394

IUPAC1-bromopentadecane
SMILESCCCCCCCCCCCCCCCBr
InChIInChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKeyJKOTZBXSNOGCIF-UHFFFAOYSA-N
MW291.32 g/mol
LogP6.47
Rot. Bonds13

About 1-bromopentadecane

1-bromopentadecane (PubChem CID 12394) has the molecular formula C15H31Br and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-bromopentadecane.

Molecular Properties

Compound Name1-bromopentadecane
PubChem CID12394
Molecular FormulaC15H31Br
Molecular Weight291.32 g/mol
Exact Mass290.16
IUPAC Name1-bromopentadecane
SMILESCCCCCCCCCCCCCCCBr
InChIInChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKeyJKOTZBXSNOGCIF-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromodecane
CID 8173
1-Bromododecane
CID 8919
1-Bromoheptane
CID 12369
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
1-Bromohexadecane
CID 8213
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1-Bromononane
CID 12742
1,12-Dibromododecane
CID 18766
1-Bromooctadecane
CID 8218
1-Bromoeicosane
CID 20271

Frequently Asked Questions

What is the IUPAC name of 1-bromopentadecane?
The IUPAC name of 1-bromopentadecane (CID 12394) is 1-bromopentadecane.
What is the SMILES notation for 1-bromopentadecane?
The canonical SMILES for 1-bromopentadecane is CCCCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromopentadecane?
The InChIKey is JKOTZBXSNOGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3.
What are the key properties of 1-bromopentadecane?
1-bromopentadecane has a molecular weight of 291.32 g/mol, XLogP of 6.47, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentadecane is sourced from PubChem (CID 12394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).