3-bromo-1,1,4-trimethylcyclopentane

C8H15Br — CID 106663442

IUPAC3-bromo-1,1,4-trimethylcyclopentane
SMILESCC1CC(C)(C)CC1Br
InChIInChI=1S/C8H15Br/c1-6-4-8(2,3)5-7(6)9/h6-7H,4-5H2,1-3H3
InChIKeyAOXZZFREGNJFIE-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.21
Rot. Bonds

About 3-bromo-1,1,4-trimethylcyclopentane

3-bromo-1,1,4-trimethylcyclopentane (PubChem CID 106663442) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-bromo-1,1,4-trimethylcyclopentane.

Molecular Properties

Compound Name3-bromo-1,1,4-trimethylcyclopentane
PubChem CID106663442
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-bromo-1,1,4-trimethylcyclopentane
SMILESCC1CC(C)(C)CC1Br
InChIInChI=1S/C8H15Br/c1-6-4-8(2,3)5-7(6)9/h6-7H,4-5H2,1-3H3
InChIKeyAOXZZFREGNJFIE-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.21
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

1,1,3-trimethylcyclobutane
CID 12656861
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
(3S)-1,1,2,3,5,5-hexamethylcyclohexane
CID 164756957
3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283
ethane;3,3,5,6,8,8-hexamethyl-azanidacyclononane;neodymium
CID 168986954
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
(1R,3R,4S,6S)-3,4-dibromo-1,6-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 124922220
3,3-dimethylcyclobutan-1-amine
CID 14988402
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
N-(2,4,4-trimethylcyclopentyl)cyclohexanamine
CID 106661501
2-methyl-N-(2,4,4-trimethylcyclopentyl)cyclohexan-1-amine
CID 106661603
N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
CID 106664352

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,4-trimethylcyclopentane?
The IUPAC name of 3-bromo-1,1,4-trimethylcyclopentane (CID 106663442) is 3-bromo-1,1,4-trimethylcyclopentane.
What is the SMILES notation for 3-bromo-1,1,4-trimethylcyclopentane?
The canonical SMILES for 3-bromo-1,1,4-trimethylcyclopentane is CC1CC(C)(C)CC1Br.
What is the InChIKey of 3-bromo-1,1,4-trimethylcyclopentane?
The InChIKey is AOXZZFREGNJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-6-4-8(2,3)5-7(6)9/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-bromo-1,1,4-trimethylcyclopentane?
3-bromo-1,1,4-trimethylcyclopentane has a molecular weight of 191.11 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,4-trimethylcyclopentane is sourced from PubChem (CID 106663442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).