(1-bromo-2-methylheptan-2-yl)cyclopropane

C11H21Br — CID 83150476

IUPAC(1-bromo-2-methylheptan-2-yl)cyclopropane
SMILESCCCCCC(C)(CBr)C1CC1
InChIInChI=1S/C11H21Br/c1-3-4-5-8-11(2,9-12)10-6-7-10/h10H,3-9H2,1-2H3
InChIKeyIGUCHYWTYVGBAW-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.38
Rot. Bonds6

About (1-bromo-2-methylheptan-2-yl)cyclopropane

(1-bromo-2-methylheptan-2-yl)cyclopropane (PubChem CID 83150476) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is (1-bromo-2-methylheptan-2-yl)cyclopropane.

Molecular Properties

Compound Name(1-bromo-2-methylheptan-2-yl)cyclopropane
PubChem CID83150476
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name(1-bromo-2-methylheptan-2-yl)cyclopropane
SMILESCCCCCC(C)(CBr)C1CC1
InChIInChI=1S/C11H21Br/c1-3-4-5-8-11(2,9-12)10-6-7-10/h10H,3-9H2,1-2H3
InChIKeyIGUCHYWTYVGBAW-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.38
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-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
1-bromo-2,2-dimethyldecane
CID 66048838
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
1,1-dicyclopropylheptan-1-ol
CID 170160591
4-(bromomethyl)-4-methylnonane
CID 66048915
(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
CID 83150787
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
[2-(3-ethylcyclopentyl)-2-methylheptyl]-(methyl-λ3-iodanylidene)-λ3-iodane
CID 163777933

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylheptan-2-yl)cyclopropane?
The IUPAC name of (1-bromo-2-methylheptan-2-yl)cyclopropane (CID 83150476) is (1-bromo-2-methylheptan-2-yl)cyclopropane.
What is the SMILES notation for (1-bromo-2-methylheptan-2-yl)cyclopropane?
The canonical SMILES for (1-bromo-2-methylheptan-2-yl)cyclopropane is CCCCCC(C)(CBr)C1CC1.
What is the InChIKey of (1-bromo-2-methylheptan-2-yl)cyclopropane?
The InChIKey is IGUCHYWTYVGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-3-4-5-8-11(2,9-12)10-6-7-10/h10H,3-9H2,1-2H3.
What are the key properties of (1-bromo-2-methylheptan-2-yl)cyclopropane?
(1-bromo-2-methylheptan-2-yl)cyclopropane has a molecular weight of 233.19 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylheptan-2-yl)cyclopropane is sourced from PubChem (CID 83150476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).