5-(bromomethyl)-2-methoxy-2-methylheptane

C10H21BrO — CID 103018464

IUPAC5-(bromomethyl)-2-methoxy-2-methylheptane
SMILESCCC(CBr)CCC(C)(C)OC
InChIInChI=1S/C10H21BrO/c1-5-9(8-11)6-7-10(2,3)12-4/h9H,5-8H2,1-4H3
InChIKeyPFXLEMJFVOTTBV-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.61
Rot. Bonds6

About 5-(bromomethyl)-2-methoxy-2-methylheptane

5-(bromomethyl)-2-methoxy-2-methylheptane (PubChem CID 103018464) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-(bromomethyl)-2-methoxy-2-methylheptane.

Molecular Properties

Compound Name5-(bromomethyl)-2-methoxy-2-methylheptane
PubChem CID103018464
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name5-(bromomethyl)-2-methoxy-2-methylheptane
SMILESCCC(CBr)CCC(C)(C)OC
InChIInChI=1S/C10H21BrO/c1-5-9(8-11)6-7-10(2,3)12-4/h9H,5-8H2,1-4H3
InChIKeyPFXLEMJFVOTTBV-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-5-methyl-2-propylhexan-1-amine
CID 103036614
3-(bromomethyl)-1-[(2-methylpropan-2-yl)oxy]pentane
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6-bromo-2-methoxy-2,5-dimethylheptane
CID 103036506
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
CID 103018681
1-bromo-2-(2-methylbutan-2-yloxymethyl)butane
CID 64994805
3-(bromomethyl)pentan-1-ol
CID 87203201
3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 103035843
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
1-bromo-4-methoxy-2,4-dimethylpentane
CID 66468850

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-methoxy-2-methylheptane?
The IUPAC name of 5-(bromomethyl)-2-methoxy-2-methylheptane (CID 103018464) is 5-(bromomethyl)-2-methoxy-2-methylheptane.
What is the SMILES notation for 5-(bromomethyl)-2-methoxy-2-methylheptane?
The canonical SMILES for 5-(bromomethyl)-2-methoxy-2-methylheptane is CCC(CBr)CCC(C)(C)OC.
What is the InChIKey of 5-(bromomethyl)-2-methoxy-2-methylheptane?
The InChIKey is PFXLEMJFVOTTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-5-9(8-11)6-7-10(2,3)12-4/h9H,5-8H2,1-4H3.
What are the key properties of 5-(bromomethyl)-2-methoxy-2-methylheptane?
5-(bromomethyl)-2-methoxy-2-methylheptane has a molecular weight of 237.18 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-methoxy-2-methylheptane is sourced from PubChem (CID 103018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).