1-bromotetradecylcyclopropane

C17H33Br — CID 55193412

IUPAC1-bromotetradecylcyclopropane
SMILESCCCCCCCCCCCCCC(Br)C1CC1
InChIInChI=1S/C17H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)16-14-15-16/h16-17H,2-15H2,1H3
InChIKeyOMCKRRRNMNYZJU-UHFFFAOYSA-N
MW317.36 g/mol
LogP6.86
Rot. Bonds13

About 1-bromotetradecylcyclopropane

1-bromotetradecylcyclopropane (PubChem CID 55193412) has the molecular formula C17H33Br and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-bromotetradecylcyclopropane.

Molecular Properties

Compound Name1-bromotetradecylcyclopropane
PubChem CID55193412
Molecular FormulaC17H33Br
Molecular Weight317.36 g/mol
Exact Mass316.18
IUPAC Name1-bromotetradecylcyclopropane
SMILESCCCCCCCCCCCCCC(Br)C1CC1
InChIInChI=1S/C17H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)16-14-15-16/h16-17H,2-15H2,1H3
InChIKeyOMCKRRRNMNYZJU-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 56.86
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

Pentadecane, 7-(bromomethyl)-
CID 18459580
11-(Bromomethyl)tricosane
CID 23075055
9-(Bromomethyl)nonadecane
CID 23148745
(1-Bromohexyl)cyclopropane
CID 63358128
(8-Bromooctyl)cyclopropane
CID 15027163
(6-Bromohexyl)cyclopropane
CID 22413033
Phytanyl Bromide
CID 10808570
1-Bromo-8-methylhexacosane
CID 135062216
(9-Bromononyl)cyclopropane
CID 11368610
(7-Bromoheptyl)cyclopropane
CID 154288528
1-(5-Bromopentyl)-2-methylcyclopropane
CID 155822181
(10R)-1-bromo-10-methylhexadecane
CID 56653148

Frequently Asked Questions

What is the IUPAC name of 1-bromotetradecylcyclopropane?
The IUPAC name of 1-bromotetradecylcyclopropane (CID 55193412) is 1-bromotetradecylcyclopropane.
What is the SMILES notation for 1-bromotetradecylcyclopropane?
The canonical SMILES for 1-bromotetradecylcyclopropane is CCCCCCCCCCCCCC(Br)C1CC1.
What is the InChIKey of 1-bromotetradecylcyclopropane?
The InChIKey is OMCKRRRNMNYZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)16-14-15-16/h16-17H,2-15H2,1H3.
What are the key properties of 1-bromotetradecylcyclopropane?
1-bromotetradecylcyclopropane has a molecular weight of 317.36 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotetradecylcyclopropane is sourced from PubChem (CID 55193412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).