1-bromo-10-[(2-methylpropan-2-yl)oxy]decane

C14H29BrO — CID 10935238

IUPAC1-bromo-10-[(2-methylpropan-2-yl)oxy]decane
SMILESCC(C)(C)OCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO/c1-14(2,3)16-13-11-9-7-5-4-6-8-10-12-15/h4-13H2,1-3H3
InChIKeyQVHWZTMGKJDPGL-UHFFFAOYSA-N
MW293.29 g/mol
LogP5.32
Rot. Bonds10

About 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane

1-bromo-10-[(2-methylpropan-2-yl)oxy]decane (PubChem CID 10935238) has the molecular formula C14H29BrO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane.

Molecular Properties

Compound Name1-bromo-10-[(2-methylpropan-2-yl)oxy]decane
PubChem CID10935238
Molecular FormulaC14H29BrO
Molecular Weight293.29 g/mol
Exact Mass292.14
IUPAC Name1-bromo-10-[(2-methylpropan-2-yl)oxy]decane
SMILESCC(C)(C)OCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO/c1-14(2,3)16-13-11-9-7-5-4-6-8-10-12-15/h4-13H2,1-3H3
InChIKeyQVHWZTMGKJDPGL-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.29
LogP ≤ 55.32
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
Heptane, 1-bromo-7-(1,1-dimethylethoxy)-
CID 10901082
1-Bromo-5-(tert-butoxy)pentane
CID 64202979
Octane, 1-(1,1-dimethylethoxy)-
CID 11769255
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-[(2-Methylpropan-2-yl)oxy]decane
CID 15032744
1-Bromo-10-ethoxydecane
CID 16744784
Decyloxybutylbromide
CID 90319712

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane?
The IUPAC name of 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane (CID 10935238) is 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane.
What is the SMILES notation for 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane?
The canonical SMILES for 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane is CC(C)(C)OCCCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane?
The InChIKey is QVHWZTMGKJDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO/c1-14(2,3)16-13-11-9-7-5-4-6-8-10-12-15/h4-13H2,1-3H3.
What are the key properties of 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane?
1-bromo-10-[(2-methylpropan-2-yl)oxy]decane has a molecular weight of 293.29 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-[(2-methylpropan-2-yl)oxy]decane is sourced from PubChem (CID 10935238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).