4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane

C14H30O2 — CID 123327281

IUPAC4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane
SMILESCCCC(C)(C)CC(C)OCOCC(C)C
InChIInChI=1S/C14H30O2/c1-7-8-14(5,6)9-13(4)16-11-15-10-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyZOQBSRKLHIQNHG-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.24
Rot. Bonds9

About 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane

4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane (PubChem CID 123327281) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane
PubChem CID123327281
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane
SMILESCCCC(C)(C)CC(C)OCOCC(C)C
InChIInChI=1S/C14H30O2/c1-7-8-14(5,6)9-13(4)16-11-15-10-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyZOQBSRKLHIQNHG-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 90854541
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
3,3-dimethylhexane-1,1-diamine
CID 88633791
3,5,5-trimethyloctan-2-amine
CID 123362443
4,4,6,12-tetramethyloctadecane
CID 123154666
3,5,5-trimethyloct-1-ene
CID 123557497
2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane
CID 162007152
4,4-bis(2-methylpropoxy)heptane
CID 89439666
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane (CID 123327281) is 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane is CCCC(C)(C)CC(C)OCOCC(C)C.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane?
The InChIKey is ZOQBSRKLHIQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-7-8-14(5,6)9-13(4)16-11-15-10-12(2)3/h12-13H,7-11H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane?
4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane has a molecular weight of 230.39 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane is sourced from PubChem (CID 123327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).