3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane

C14H28O3 — CID 87932705

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(OCCOCCOC)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-7-12(2)13(14(3,4)5)17-11-10-16-9-8-15-6/h13H,2,7-11H2,1,3-6H3
InChIKeyXBDUAGSVLSXKDL-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.05
Rot. Bonds9

About 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane

3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane (PubChem CID 87932705) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane
PubChem CID87932705
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(OCCOCCOC)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-7-12(2)13(14(3,4)5)17-11-10-16-9-8-15-6/h13H,2,7-11H2,1,3-6H3
InChIKeyXBDUAGSVLSXKDL-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane (CID 87932705) is 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane is C=C(CC)C(OCCOCCOC)C(C)(C)C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane?
The InChIKey is XBDUAGSVLSXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-7-12(2)13(14(3,4)5)17-11-10-16-9-8-15-6/h13H,2,7-11H2,1,3-6H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane?
3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane has a molecular weight of 244.37 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethyl-4-methylidenehexane is sourced from PubChem (CID 87932705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).