butoxymethylcyclopropane

C8H16O — CID 58195602

IUPACbutoxymethylcyclopropane
SMILESCCCCOCC1CC1
InChIInChI=1S/C8H16O/c1-2-3-6-9-7-8-4-5-8/h8H,2-7H2,1H3
InChIKeyXZSPNYMKQRMNPE-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds5

About butoxymethylcyclopropane

butoxymethylcyclopropane (PubChem CID 58195602) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is butoxymethylcyclopropane.

Molecular Properties

Compound Namebutoxymethylcyclopropane
PubChem CID58195602
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namebutoxymethylcyclopropane
SMILESCCCCOCC1CC1
InChIInChI=1S/C8H16O/c1-2-3-6-9-7-8-4-5-8/h8H,2-7H2,1H3
InChIKeyXZSPNYMKQRMNPE-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
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 butoxymethylcyclopropane?
The IUPAC name of butoxymethylcyclopropane (CID 58195602) is butoxymethylcyclopropane.
What is the SMILES notation for butoxymethylcyclopropane?
The canonical SMILES for butoxymethylcyclopropane is CCCCOCC1CC1.
What is the InChIKey of butoxymethylcyclopropane?
The InChIKey is XZSPNYMKQRMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-6-9-7-8-4-5-8/h8H,2-7H2,1H3.
What are the key properties of butoxymethylcyclopropane?
butoxymethylcyclopropane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethylcyclopropane is sourced from PubChem (CID 58195602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).