1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane

C10H20O3 — CID 57196656

IUPAC1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane
SMILESCO/C=C\OCCCOCC(C)C
InChIInChI=1S/C10H20O3/c1-10(2)9-13-6-4-5-12-8-7-11-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
InChIKeyBADRZVRXGLYYNL-FPLPWBNLSA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds8

About 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane

1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane (PubChem CID 57196656) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane
PubChem CID57196656
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane
SMILESCO/C=C\OCCCOCC(C)C
InChIInChI=1S/C10H20O3/c1-10(2)9-13-6-4-5-12-8-7-11-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
InChIKeyBADRZVRXGLYYNL-FPLPWBNLSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane?
The IUPAC name of 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane (CID 57196656) is 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane.
What is the SMILES notation for 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane?
The canonical SMILES for 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane is CO/C=C\OCCCOCC(C)C.
What is the InChIKey of 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane?
The InChIKey is BADRZVRXGLYYNL-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2)9-13-6-4-5-12-8-7-11-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-.
What are the key properties of 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane?
1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane has a molecular weight of 188.27 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-2-methoxyethenoxy]propoxy]-2-methylpropane is sourced from PubChem (CID 57196656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).