(1-bromo-5-methylhexyl)cyclopropane

C10H19Br — CID 63472651

IUPAC(1-bromo-5-methylhexyl)cyclopropane
SMILESCC(C)CCCC(Br)C1CC1
InChIInChI=1S/C10H19Br/c1-8(2)4-3-5-10(11)9-6-7-9/h8-10H,3-7H2,1-2H3
InChIKeyIZKGHBYYJIYNMT-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds5

About (1-bromo-5-methylhexyl)cyclopropane

(1-bromo-5-methylhexyl)cyclopropane (PubChem CID 63472651) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (1-bromo-5-methylhexyl)cyclopropane.

Molecular Properties

Compound Name(1-bromo-5-methylhexyl)cyclopropane
PubChem CID63472651
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(1-bromo-5-methylhexyl)cyclopropane
SMILESCC(C)CCCC(Br)C1CC1
InChIInChI=1S/C10H19Br/c1-8(2)4-3-5-10(11)9-6-7-9/h8-10H,3-7H2,1-2H3
InChIKeyIZKGHBYYJIYNMT-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromotetradecylcyclopropane
CID 55193412
(1-bromo-5-methylhex-5-enyl)cyclopropane
CID 79185001
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-(1,3-dibromopropyl)-4-ethylcyclohexane
CID 143189169
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
CID 106732544
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
1-(6-methylheptan-2-yl)-4-(3-methylpentyl)cyclohexane
CID 102305069
4-bromo-4-cyclopropylbutanenitrile
CID 65238231
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
N-ethyl-5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161156
1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
CID 143189115

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-methylhexyl)cyclopropane?
The IUPAC name of (1-bromo-5-methylhexyl)cyclopropane (CID 63472651) is (1-bromo-5-methylhexyl)cyclopropane.
What is the SMILES notation for (1-bromo-5-methylhexyl)cyclopropane?
The canonical SMILES for (1-bromo-5-methylhexyl)cyclopropane is CC(C)CCCC(Br)C1CC1.
What is the InChIKey of (1-bromo-5-methylhexyl)cyclopropane?
The InChIKey is IZKGHBYYJIYNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(2)4-3-5-10(11)9-6-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of (1-bromo-5-methylhexyl)cyclopropane?
(1-bromo-5-methylhexyl)cyclopropane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-methylhexyl)cyclopropane is sourced from PubChem (CID 63472651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).