4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane

C17H35ClO3 — CID 150103644

IUPAC4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane
SMILESCCCCCCCCC(C)(CCCOC)C(Cl)(OC)OC
InChIInChI=1S/C17H35ClO3/c1-6-7-8-9-10-11-13-16(2,14-12-15-19-3)17(18,20-4)21-5/h6-15H2,1-5H3
InChIKeyDVTYVWKTSJVJAA-UHFFFAOYSA-N
MW322.92 g/mol
LogP5.36
Rot. Bonds14

About 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane

4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane (PubChem CID 150103644) has the molecular formula C17H35ClO3 and a molecular weight of 322.92 g/mol. Its IUPAC name is 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane.

Molecular Properties

Compound Name4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane
PubChem CID150103644
Molecular FormulaC17H35ClO3
Molecular Weight322.92 g/mol
Exact Mass322.23
IUPAC Name4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane
SMILESCCCCCCCCC(C)(CCCOC)C(Cl)(OC)OC
InChIInChI=1S/C17H35ClO3/c1-6-7-8-9-10-11-13-16(2,14-12-15-19-3)17(18,20-4)21-5/h6-15H2,1-5H3
InChIKeyDVTYVWKTSJVJAA-UHFFFAOYSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.92
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4,4-trimethoxytridecane
CID 150006661
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
1-methoxyhexacosane
CID 20780514
azane;1-methoxydodecane
CID 174553670
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
1-methoxy-3-methyldodecan-3-amine
CID 62620545
4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
CID 150655273
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
13-tert-butyl-13-methylpentacosane
CID 91013833
2-chloro-2-methylheptadecane
CID 19869804
1,6-dimethoxy-6-methylheptane
CID 89190127
11-methoxy-11-nonyltetracosane
CID 159441841

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane?
The IUPAC name of 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane (CID 150103644) is 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane.
What is the SMILES notation for 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane?
The canonical SMILES for 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane is CCCCCCCCC(C)(CCCOC)C(Cl)(OC)OC.
What is the InChIKey of 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane?
The InChIKey is DVTYVWKTSJVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35ClO3/c1-6-7-8-9-10-11-13-16(2,14-12-15-19-3)17(18,20-4)21-5/h6-15H2,1-5H3.
What are the key properties of 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane?
4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane has a molecular weight of 322.92 g/mol, XLogP of 5.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane is sourced from PubChem (CID 150103644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).