1-bromo-3-heptylcyclopentane

C12H23Br — CID 64509382

IUPAC1-bromo-3-heptylcyclopentane
SMILESCCCCCCCC1CCC(Br)C1
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h11-12H,2-10H2,1H3
InChIKeyHMVKLGULWBHVGK-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.91
Rot. Bonds6

About 1-bromo-3-heptylcyclopentane

1-bromo-3-heptylcyclopentane (PubChem CID 64509382) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-bromo-3-heptylcyclopentane.

Molecular Properties

Compound Name1-bromo-3-heptylcyclopentane
PubChem CID64509382
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name1-bromo-3-heptylcyclopentane
SMILESCCCCCCCC1CCC(Br)C1
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h11-12H,2-10H2,1H3
InChIKeyHMVKLGULWBHVGK-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.91
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-3-butylcyclopentane
CID 64508261
1-bromo-3-hexylcycloheptane
CID 64508523
1-bromo-4-hexylcyclohexane
CID 157160375
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
azane;hexylcyclopropane
CID 135322230
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
hexane;pentylcyclopropane
CID 159592467
1-bromo-3-hept-6-enylcyclopentane
CID 107010537

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-heptylcyclopentane?
The IUPAC name of 1-bromo-3-heptylcyclopentane (CID 64509382) is 1-bromo-3-heptylcyclopentane.
What is the SMILES notation for 1-bromo-3-heptylcyclopentane?
The canonical SMILES for 1-bromo-3-heptylcyclopentane is CCCCCCCC1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-heptylcyclopentane?
The InChIKey is HMVKLGULWBHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-bromo-3-heptylcyclopentane?
1-bromo-3-heptylcyclopentane has a molecular weight of 247.22 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-heptylcyclopentane is sourced from PubChem (CID 64509382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).