3-methylbutoxymethylcyclopropane

C9H18O — CID 58970607

IUPAC3-methylbutoxymethylcyclopropane
SMILESCC(C)CCOCC1CC1
InChIInChI=1S/C9H18O/c1-8(2)5-6-10-7-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyNGTMYXXBVYIXLJ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds5

About 3-methylbutoxymethylcyclopropane

3-methylbutoxymethylcyclopropane (PubChem CID 58970607) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methylbutoxymethylcyclopropane.

Molecular Properties

Compound Name3-methylbutoxymethylcyclopropane
PubChem CID58970607
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methylbutoxymethylcyclopropane
SMILESCC(C)CCOCC1CC1
InChIInChI=1S/C9H18O/c1-8(2)5-6-10-7-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyNGTMYXXBVYIXLJ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxymethylcyclopropane?
The IUPAC name of 3-methylbutoxymethylcyclopropane (CID 58970607) is 3-methylbutoxymethylcyclopropane.
What is the SMILES notation for 3-methylbutoxymethylcyclopropane?
The canonical SMILES for 3-methylbutoxymethylcyclopropane is CC(C)CCOCC1CC1.
What is the InChIKey of 3-methylbutoxymethylcyclopropane?
The InChIKey is NGTMYXXBVYIXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)5-6-10-7-9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methylbutoxymethylcyclopropane?
3-methylbutoxymethylcyclopropane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxymethylcyclopropane is sourced from PubChem (CID 58970607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).