1-bromo-10-methyltetradecane

C15H31Br — CID 170440357

IUPAC1-bromo-10-methyltetradecane
SMILESCCCCC(C)CCCCCCCCCBr
InChIInChI=1S/C15H31Br/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h15H,3-14H2,1-2H3
InChIKeyHJYYXCZJAAHMKO-UHFFFAOYSA-N
MW291.32 g/mol
LogP6.33
Rot. Bonds12

About 1-bromo-10-methyltetradecane

1-bromo-10-methyltetradecane (PubChem CID 170440357) has the molecular formula C15H31Br and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-bromo-10-methyltetradecane.

Molecular Properties

Compound Name1-bromo-10-methyltetradecane
PubChem CID170440357
Molecular FormulaC15H31Br
Molecular Weight291.32 g/mol
Exact Mass290.16
IUPAC Name1-bromo-10-methyltetradecane
SMILESCCCCC(C)CCCCCCCCCBr
InChIInChI=1S/C15H31Br/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h15H,3-14H2,1-2H3
InChIKeyHJYYXCZJAAHMKO-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 56.33
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-bromo-4-methyldecane
CID 14069922
1-bromo-5,7-dimethylundecane
CID 72965609
(3R)-1-bromo-3-methyltridecane
CID 154310087
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,9,17-trimethylhenicosane
CID 123913465
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-methyltetradecane?
The IUPAC name of 1-bromo-10-methyltetradecane (CID 170440357) is 1-bromo-10-methyltetradecane.
What is the SMILES notation for 1-bromo-10-methyltetradecane?
The canonical SMILES for 1-bromo-10-methyltetradecane is CCCCC(C)CCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-methyltetradecane?
The InChIKey is HJYYXCZJAAHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Br/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-bromo-10-methyltetradecane?
1-bromo-10-methyltetradecane has a molecular weight of 291.32 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-methyltetradecane is sourced from PubChem (CID 170440357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).