3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane

C14H28O3 — CID 141103503

IUPAC3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(COCCOC)(OC)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-8-12(2)14(16-7,13(3,4)5)11-17-10-9-15-6/h2,8-11H2,1,3-7H3
InChIKeyAWSSKGFCDVWCGH-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.05
Rot. Bonds8

About 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane

3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane (PubChem CID 141103503) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane.

Molecular Properties

Compound Name3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane
PubChem CID141103503
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(COCCOC)(OC)C(C)(C)C
InChIInChI=1S/C14H28O3/c1-8-12(2)14(16-7,13(3,4)5)11-17-10-9-15-6/h2,8-11H2,1,3-7H3
InChIKeyAWSSKGFCDVWCGH-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The IUPAC name of 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane (CID 141103503) is 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane.
What is the SMILES notation for 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The canonical SMILES for 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane is C=C(CC)C(COCCOC)(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The InChIKey is AWSSKGFCDVWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-8-12(2)14(16-7,13(3,4)5)11-17-10-9-15-6/h2,8-11H2,1,3-7H3.
What are the key properties of 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane?
3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane has a molecular weight of 244.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane is sourced from PubChem (CID 141103503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).