2-bromo-1,1-dihexylcyclopropane

C15H29Br — CID 71500159

IUPAC2-bromo-1,1-dihexylcyclopropane
SMILESCCCCCCC1(CCCCCC)CC1Br
InChIInChI=1S/C15H29Br/c1-3-5-7-9-11-15(13-14(15)16)12-10-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyHBMXPAJAYCXZQM-UHFFFAOYSA-N
MW289.30 g/mol
LogP6.08
Rot. Bonds10

About 2-bromo-1,1-dihexylcyclopropane

2-bromo-1,1-dihexylcyclopropane (PubChem CID 71500159) has the molecular formula C15H29Br and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-bromo-1,1-dihexylcyclopropane.

Molecular Properties

Compound Name2-bromo-1,1-dihexylcyclopropane
PubChem CID71500159
Molecular FormulaC15H29Br
Molecular Weight289.30 g/mol
Exact Mass288.15
IUPAC Name2-bromo-1,1-dihexylcyclopropane
SMILESCCCCCCC1(CCCCCC)CC1Br
InChIInChI=1S/C15H29Br/c1-3-5-7-9-11-15(13-14(15)16)12-10-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyHBMXPAJAYCXZQM-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.30
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

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[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
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2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
1,1,2-tribromo-2-heptylcyclopropane
CID 10970857
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-ethyl-1-hexylcyclopropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dihexylcyclopropane?
The IUPAC name of 2-bromo-1,1-dihexylcyclopropane (CID 71500159) is 2-bromo-1,1-dihexylcyclopropane.
What is the SMILES notation for 2-bromo-1,1-dihexylcyclopropane?
The canonical SMILES for 2-bromo-1,1-dihexylcyclopropane is CCCCCCC1(CCCCCC)CC1Br.
What is the InChIKey of 2-bromo-1,1-dihexylcyclopropane?
The InChIKey is HBMXPAJAYCXZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Br/c1-3-5-7-9-11-15(13-14(15)16)12-10-8-6-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 2-bromo-1,1-dihexylcyclopropane?
2-bromo-1,1-dihexylcyclopropane has a molecular weight of 289.30 g/mol, XLogP of 6.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dihexylcyclopropane is sourced from PubChem (CID 71500159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).