1-bromotetradecane

C14H29Br — CID 8208

IUPAC1-bromotetradecane
SMILESCCCCCCCCCCCCCCBr
InChIInChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKeyKOFZTCSTGIWCQG-UHFFFAOYSA-N
MW277.29 g/mol
LogP6.08
Rot. Bonds12

About 1-bromotetradecane

1-bromotetradecane (PubChem CID 8208) has the molecular formula C14H29Br and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-bromotetradecane.

Molecular Properties

Compound Name1-bromotetradecane
PubChem CID8208
Molecular FormulaC14H29Br
Molecular Weight277.29 g/mol
Exact Mass276.15
IUPAC Name1-bromotetradecane
SMILESCCCCCCCCCCCCCCBr
InChIInChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKeyKOFZTCSTGIWCQG-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 56.08
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-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
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-bromotetradecane?
The IUPAC name of 1-bromotetradecane (CID 8208) is 1-bromotetradecane.
What is the SMILES notation for 1-bromotetradecane?
The canonical SMILES for 1-bromotetradecane is CCCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromotetradecane?
The InChIKey is KOFZTCSTGIWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3.
What are the key properties of 1-bromotetradecane?
1-bromotetradecane has a molecular weight of 277.29 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotetradecane is sourced from PubChem (CID 8208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).