2-bromo-1,1-dimethyl-4-pentoxycyclobutane

C11H21BrO — CID 66346400

IUPAC2-bromo-1,1-dimethyl-4-pentoxycyclobutane
SMILESCCCCCOC1CC(Br)C1(C)C
InChIInChI=1S/C11H21BrO/c1-4-5-6-7-13-10-8-9(12)11(10,2)3/h9-10H,4-8H2,1-3H3
InChIKeyICLYWRSXGYOOOQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 2-bromo-1,1-dimethyl-4-pentoxycyclobutane

2-bromo-1,1-dimethyl-4-pentoxycyclobutane (PubChem CID 66346400) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-bromo-1,1-dimethyl-4-pentoxycyclobutane.

Molecular Properties

Compound Name2-bromo-1,1-dimethyl-4-pentoxycyclobutane
PubChem CID66346400
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name2-bromo-1,1-dimethyl-4-pentoxycyclobutane
SMILESCCCCCOC1CC(Br)C1(C)C
InChIInChI=1S/C11H21BrO/c1-4-5-6-7-13-10-8-9(12)11(10,2)3/h9-10H,4-8H2,1-3H3
InChIKeyICLYWRSXGYOOOQ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-bromo-1-ethyl-1-methyl-4-pentoxycyclobutane
CID 66343460
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
CID 104567999
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
2,2-diethyl-3-heptoxycyclobutan-1-ol
CID 66368150
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
2-bromo-4-butan-2-yloxy-1,1-dimethylcyclobutane
CID 66343685
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
2,2-dimethyl-3-propoxycyclobutan-1-amine
CID 66357857

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dimethyl-4-pentoxycyclobutane?
The IUPAC name of 2-bromo-1,1-dimethyl-4-pentoxycyclobutane (CID 66346400) is 2-bromo-1,1-dimethyl-4-pentoxycyclobutane.
What is the SMILES notation for 2-bromo-1,1-dimethyl-4-pentoxycyclobutane?
The canonical SMILES for 2-bromo-1,1-dimethyl-4-pentoxycyclobutane is CCCCCOC1CC(Br)C1(C)C.
What is the InChIKey of 2-bromo-1,1-dimethyl-4-pentoxycyclobutane?
The InChIKey is ICLYWRSXGYOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-4-5-6-7-13-10-8-9(12)11(10,2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-bromo-1,1-dimethyl-4-pentoxycyclobutane?
2-bromo-1,1-dimethyl-4-pentoxycyclobutane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dimethyl-4-pentoxycyclobutane is sourced from PubChem (CID 66346400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).