4-(chloromethyl)-2-methoxy-2,4-dimethylhexane

C10H21ClO — CID 165442895

IUPAC4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
SMILESCCC(C)(CCl)CC(C)(C)OC
InChIInChI=1S/C10H21ClO/c1-6-10(4,8-11)7-9(2,3)12-5/h6-8H2,1-5H3
InChIKeyXTCQYBWVSMWQCC-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.46
Rot. Bonds5

About 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane

4-(chloromethyl)-2-methoxy-2,4-dimethylhexane (PubChem CID 165442895) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
PubChem CID165442895
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
SMILESCCC(C)(CCl)CC(C)(C)OC
InChIInChI=1S/C10H21ClO/c1-6-10(4,8-11)7-9(2,3)12-5/h6-8H2,1-5H3
InChIKeyXTCQYBWVSMWQCC-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
CID 139700863
3-(chloromethyl)-1-ethylsulfonyl-3-methylpentane
CID 66035858
3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66036764
ethane;3-ethyl-3-methylpentane
CID 158904304
1-chloro-5-methoxy-3,3,5-trimethylheptane
CID 123782872
4-(chloromethyl)-2-methoxy-2-methylheptane
CID 165445702
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
6-(chloromethyl)-6-methyloct-1-ene
CID 165446977
2-methoxy-2-methylsulfanylbutane
CID 123157365

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane?
The IUPAC name of 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane (CID 165442895) is 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane.
What is the SMILES notation for 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane?
The canonical SMILES for 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane is CCC(C)(CCl)CC(C)(C)OC.
What is the InChIKey of 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane?
The InChIKey is XTCQYBWVSMWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-6-10(4,8-11)7-9(2,3)12-5/h6-8H2,1-5H3.
What are the key properties of 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane?
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane has a molecular weight of 192.73 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methoxy-2,4-dimethylhexane is sourced from PubChem (CID 165442895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).