3-methylbut-3-enoxymethylcyclopropane

C9H16O — CID 156599696

IUPAC3-methylbut-3-enoxymethylcyclopropane
SMILESC=C(C)CCOCC1CC1
InChIInChI=1S/C9H16O/c1-8(2)5-6-10-7-9-3-4-9/h9H,1,3-7H2,2H3
InChIKeyRZWQLNNLUSOREB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds5

About 3-methylbut-3-enoxymethylcyclopropane

3-methylbut-3-enoxymethylcyclopropane (PubChem CID 156599696) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methylbut-3-enoxymethylcyclopropane.

Molecular Properties

Compound Name3-methylbut-3-enoxymethylcyclopropane
PubChem CID156599696
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methylbut-3-enoxymethylcyclopropane
SMILESC=C(C)CCOCC1CC1
InChIInChI=1S/C9H16O/c1-8(2)5-6-10-7-9-3-4-9/h9H,1,3-7H2,2H3
InChIKeyRZWQLNNLUSOREB-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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 3-methylbut-3-enoxymethylcyclopropane?
The IUPAC name of 3-methylbut-3-enoxymethylcyclopropane (CID 156599696) is 3-methylbut-3-enoxymethylcyclopropane.
What is the SMILES notation for 3-methylbut-3-enoxymethylcyclopropane?
The canonical SMILES for 3-methylbut-3-enoxymethylcyclopropane is C=C(C)CCOCC1CC1.
What is the InChIKey of 3-methylbut-3-enoxymethylcyclopropane?
The InChIKey is RZWQLNNLUSOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)5-6-10-7-9-3-4-9/h9H,1,3-7H2,2H3.
What are the key properties of 3-methylbut-3-enoxymethylcyclopropane?
3-methylbut-3-enoxymethylcyclopropane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enoxymethylcyclopropane is sourced from PubChem (CID 156599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).