3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol

C10H21BrO2 — CID 129235355

IUPAC3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol
SMILESCOC(C)(C)CC(O)(CBr)C(C)C
InChIInChI=1S/C10H21BrO2/c1-8(2)10(12,7-11)6-9(3,4)13-5/h8,12H,6-7H2,1-5H3
InChIKeyYTBGKJWFWMDYGA-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.58
Rot. Bonds5

About 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol

3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol (PubChem CID 129235355) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol
PubChem CID129235355
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol
SMILESCOC(C)(C)CC(O)(CBr)C(C)C
InChIInChI=1S/C10H21BrO2/c1-8(2)10(12,7-11)6-9(3,4)13-5/h8,12H,6-7H2,1-5H3
InChIKeyYTBGKJWFWMDYGA-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-methoxy-2,4-dimethylpentane
CID 66468850
1-bromo-2,2-dimethoxy-3-methylbutane
CID 177040835
1,2-dibromo-2,3-dimethylbutane
CID 15737638
3-bromo-1-methoxy-2,2-dimethylpropan-1-ol
CID 168838897
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol
CID 90383714
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
2,5-dimethoxy-2,5-dimethylhexane
CID 552009

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol?
The IUPAC name of 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol (CID 129235355) is 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol.
What is the SMILES notation for 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol?
The canonical SMILES for 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol is COC(C)(C)CC(O)(CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol?
The InChIKey is YTBGKJWFWMDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-8(2)10(12,7-11)6-9(3,4)13-5/h8,12H,6-7H2,1-5H3.
What are the key properties of 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol?
3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol has a molecular weight of 253.18 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methoxy-2,5-dimethylhexan-3-ol is sourced from PubChem (CID 129235355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).