[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane

C13H24Br2 — CID 112571210

IUPAC[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
SMILESCCCCCC(CBr)(CBr)C1CCCC1
InChIInChI=1S/C13H24Br2/c1-2-3-6-9-13(10-14,11-15)12-7-4-5-8-12/h12H,2-11H2,1H3
InChIKeyYCVZTTPWHWDKNS-UHFFFAOYSA-N
MW340.14 g/mol
LogP5.53
Rot. Bonds7

About [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane

[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane (PubChem CID 112571210) has the molecular formula C13H24Br2 and a molecular weight of 340.14 g/mol. Its IUPAC name is [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
PubChem CID112571210
Molecular FormulaC13H24Br2
Molecular Weight340.14 g/mol
Exact Mass338.02
IUPAC Name[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
SMILESCCCCCC(CBr)(CBr)C1CCCC1
InChIInChI=1S/C13H24Br2/c1-2-3-6-9-13(10-14,11-15)12-7-4-5-8-12/h12H,2-11H2,1H3
InChIKeyYCVZTTPWHWDKNS-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.14
LogP ≤ 55.53
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-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane
CID 104650812
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
(1-bromo-2-methylheptan-2-yl)cyclopropane
CID 83150476
3-(chloromethyl)heptan-3-ylcycloheptane
CID 82945588
3-cyclohexylnonan-3-ylphosphane
CID 174798619
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
silyl 5-cyclopentyl-5-propyloctanoate
CID 123138842
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
2,2-dicyclohexyldecanal
CID 88668774
2,3-dimethyloctan-2-ylcyclohexane;ethane
CID 143333378
2-cyclopentyl-2-methyldecanoic acid
CID 175087816

Frequently Asked Questions

What is the IUPAC name of [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane?
The IUPAC name of [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane (CID 112571210) is [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane.
What is the SMILES notation for [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane?
The canonical SMILES for [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane is CCCCCC(CBr)(CBr)C1CCCC1.
What is the InChIKey of [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane?
The InChIKey is YCVZTTPWHWDKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Br2/c1-2-3-6-9-13(10-14,11-15)12-7-4-5-8-12/h12H,2-11H2,1H3.
What are the key properties of [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane?
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane has a molecular weight of 340.14 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane is sourced from PubChem (CID 112571210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).