1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane

C11H23BrO — CID 10901082

IUPAC1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane
SMILESCC(C)(C)OCCCCCCCBr
InChIInChI=1S/C11H23BrO/c1-11(2,3)13-10-8-6-4-5-7-9-12/h4-10H2,1-3H3
InChIKeyNONIPQPOUADPFN-UHFFFAOYSA-N
MW251.21 g/mol
LogP4.15
Rot. Bonds7

About 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane

1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane (PubChem CID 10901082) has the molecular formula C11H23BrO and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane.

Molecular Properties

Compound Name1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane
PubChem CID10901082
Molecular FormulaC11H23BrO
Molecular Weight251.21 g/mol
Exact Mass250.09
IUPAC Name1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane
SMILESCC(C)(C)OCCCCCCCBr
InChIInChI=1S/C11H23BrO/c1-11(2,3)13-10-8-6-4-5-7-9-12/h4-10H2,1-3H3
InChIKeyNONIPQPOUADPFN-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 54.15
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

1-Bromo-6-(tert-butoxy)hexane
CID 13491371
1-Bromo-8-(tert-butoxy)octane
CID 14029040
1-Bromo-10-(tert-butoxy)decane
CID 10935238
1-Bromo-5-(tert-butoxy)pentane
CID 64202979
1-Bromo-9-(tert-butoxy)nonane
CID 12193483
1-Bromo-12-(tert-butoxy)dodecane
CID 101184177
1-Bromo-11-(tert-butoxy)undecane
CID 165592710
1-(2-Bromoethoxy)dodecane
CID 12857524
1-Bromo-10-ethoxydecane
CID 16744784
Decyloxybutylbromide
CID 90319712
1-Bromo-10-(2-fluoropropan-2-yloxy)decane
CID 143257626
2-Bromo-1-methoxyheptane
CID 62320387

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane?
The IUPAC name of 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane (CID 10901082) is 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane.
What is the SMILES notation for 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane?
The canonical SMILES for 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane is CC(C)(C)OCCCCCCCBr.
What is the InChIKey of 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane?
The InChIKey is NONIPQPOUADPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO/c1-11(2,3)13-10-8-6-4-5-7-9-12/h4-10H2,1-3H3.
What are the key properties of 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane?
1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane has a molecular weight of 251.21 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane is sourced from PubChem (CID 10901082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).