[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane

C14H26O2 — CID 70825391

IUPAC[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane
SMILESCC(=C1CC1)C(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C14H26O2/c1-11(12-7-8-12)14(5,6)16-10-9-15-13(2,3)4/h7-10H2,1-6H3
InChIKeySOJGUIRIUWGASZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.71
Rot. Bonds5

About [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane

[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane (PubChem CID 70825391) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane.

Molecular Properties

Compound Name[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane
PubChem CID70825391
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane
SMILESCC(=C1CC1)C(C)(C)OCCOC(C)(C)C
InChIInChI=1S/C14H26O2/c1-11(12-7-8-12)14(5,6)16-10-9-15-13(2,3)4/h7-10H2,1-6H3
InChIKeySOJGUIRIUWGASZ-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane?
The IUPAC name of [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane (CID 70825391) is [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane.
What is the SMILES notation for [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane?
The canonical SMILES for [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane is CC(=C1CC1)C(C)(C)OCCOC(C)(C)C.
What is the InChIKey of [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane?
The InChIKey is SOJGUIRIUWGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(12-7-8-12)14(5,6)16-10-9-15-13(2,3)4/h7-10H2,1-6H3.
What are the key properties of [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane?
[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane has a molecular weight of 226.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ylidene]cyclopropane is sourced from PubChem (CID 70825391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).