1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane

C13H22O — CID 70432376

IUPAC1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1C(C=C(C)C)C1(C)C
InChIInChI=1S/C13H22O/c1-6-7-14-9-12-11(8-10(2)3)13(12,4)5/h6,8,11-12H,1,7,9H2,2-5H3
InChIKeyMWXOPOUDPQUXBN-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds5

About 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane

1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane (PubChem CID 70432376) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane
PubChem CID70432376
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1C(C=C(C)C)C1(C)C
InChIInChI=1S/C13H22O/c1-6-7-14-9-12-11(8-10(2)3)13(12,4)5/h6,8,11-12H,1,7,9H2,2-5H3
InChIKeyMWXOPOUDPQUXBN-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane (CID 70432376) is 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane is C=CCOCC1C(C=C(C)C)C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane?
The InChIKey is MWXOPOUDPQUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-6-7-14-9-12-11(8-10(2)3)13(12,4)5/h6,8,11-12H,1,7,9H2,2-5H3.
What are the key properties of 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane?
1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane has a molecular weight of 194.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane is sourced from PubChem (CID 70432376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).