7-bromo-2-methoxy-2,8-dimethylnonane

C12H25BrO — CID 103037609

IUPAC7-bromo-2-methoxy-2,8-dimethylnonane
SMILESCOC(C)(C)CCCCC(Br)C(C)C
InChIInChI=1S/C12H25BrO/c1-10(2)11(13)8-6-7-9-12(3,4)14-5/h10-11H,6-9H2,1-5H3
InChIKeyDMPLTOGPIPKAAN-UHFFFAOYSA-N
MW265.23 g/mol
LogP4.39
Rot. Bonds7

About 7-bromo-2-methoxy-2,8-dimethylnonane

7-bromo-2-methoxy-2,8-dimethylnonane (PubChem CID 103037609) has the molecular formula C12H25BrO and a molecular weight of 265.23 g/mol. Its IUPAC name is 7-bromo-2-methoxy-2,8-dimethylnonane.

Molecular Properties

Compound Name7-bromo-2-methoxy-2,8-dimethylnonane
PubChem CID103037609
Molecular FormulaC12H25BrO
Molecular Weight265.23 g/mol
Exact Mass264.11
IUPAC Name7-bromo-2-methoxy-2,8-dimethylnonane
SMILESCOC(C)(C)CCCCC(Br)C(C)C
InChIInChI=1S/C12H25BrO/c1-10(2)11(13)8-6-7-9-12(3,4)14-5/h10-11H,6-9H2,1-5H3
InChIKeyDMPLTOGPIPKAAN-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.39
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

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CID 552009
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1,6-dimethoxy-6-methylheptane
CID 89190127
7-hydroxy-12-methoxy-2,2,12-trimethyltridecanal
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methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
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CID 103019805

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-2,8-dimethylnonane?
The IUPAC name of 7-bromo-2-methoxy-2,8-dimethylnonane (CID 103037609) is 7-bromo-2-methoxy-2,8-dimethylnonane.
What is the SMILES notation for 7-bromo-2-methoxy-2,8-dimethylnonane?
The canonical SMILES for 7-bromo-2-methoxy-2,8-dimethylnonane is COC(C)(C)CCCCC(Br)C(C)C.
What is the InChIKey of 7-bromo-2-methoxy-2,8-dimethylnonane?
The InChIKey is DMPLTOGPIPKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrO/c1-10(2)11(13)8-6-7-9-12(3,4)14-5/h10-11H,6-9H2,1-5H3.
What are the key properties of 7-bromo-2-methoxy-2,8-dimethylnonane?
7-bromo-2-methoxy-2,8-dimethylnonane has a molecular weight of 265.23 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-2,8-dimethylnonane is sourced from PubChem (CID 103037609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).