1,1-dibromo-2-octylcyclopropane

C11H20Br2 — CID 2780238

IUPAC1,1-dibromo-2-octylcyclopropane
SMILESCCCCCCCCC1CC1(Br)Br
InChIInChI=1S/C11H20Br2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h10H,2-9H2,1H3
InChIKeyQEMWCGYLHICAEI-UHFFFAOYSA-N
MW312.09 g/mol
LogP5.24
Rot. Bonds7

About 1,1-dibromo-2-octylcyclopropane

1,1-dibromo-2-octylcyclopropane (PubChem CID 2780238) has the molecular formula C11H20Br2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 1,1-dibromo-2-octylcyclopropane.

Molecular Properties

Compound Name1,1-dibromo-2-octylcyclopropane
PubChem CID2780238
Molecular FormulaC11H20Br2
Molecular Weight312.09 g/mol
Exact Mass309.99
IUPAC Name1,1-dibromo-2-octylcyclopropane
SMILESCCCCCCCCC1CC1(Br)Br
InChIInChI=1S/C11H20Br2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h10H,2-9H2,1H3
InChIKeyQEMWCGYLHICAEI-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.09
LogP ≤ 55.24
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

1,1-dibromo-2-propylcyclopropane
CID 13198577
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1,1-dichloro-2-octylcyclopropane
CID 10799099
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
5-decyl-1-methylidene-1-silaspiro[2.2]pentane
CID 169011665
2,6-dihexylspiro[3.3]heptane
CID 58679549
cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
CID 102019528
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2'-pentylspiro[bicyclo[2.1.1]hexane-5,1'-cyclopropane]
CID 123756901
N-ethyl-1-methyl-2-pentylcyclopropan-1-amine
CID 123705841

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-2-octylcyclopropane?
The IUPAC name of 1,1-dibromo-2-octylcyclopropane (CID 2780238) is 1,1-dibromo-2-octylcyclopropane.
What is the SMILES notation for 1,1-dibromo-2-octylcyclopropane?
The canonical SMILES for 1,1-dibromo-2-octylcyclopropane is CCCCCCCCC1CC1(Br)Br.
What is the InChIKey of 1,1-dibromo-2-octylcyclopropane?
The InChIKey is QEMWCGYLHICAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Br2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h10H,2-9H2,1H3.
What are the key properties of 1,1-dibromo-2-octylcyclopropane?
1,1-dibromo-2-octylcyclopropane has a molecular weight of 312.09 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-octylcyclopropane is sourced from PubChem (CID 2780238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).