1-propan-2-yloxy-1-prop-2-enylcyclobutane

C10H18O — CID 59833057

IUPAC1-propan-2-yloxy-1-prop-2-enylcyclobutane
SMILESC=CCC1(OC(C)C)CCC1
InChIInChI=1S/C10H18O/c1-4-6-10(7-5-8-10)11-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyYYKSIOBXFWBBAI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds4

About 1-propan-2-yloxy-1-prop-2-enylcyclobutane

1-propan-2-yloxy-1-prop-2-enylcyclobutane (PubChem CID 59833057) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-propan-2-yloxy-1-prop-2-enylcyclobutane.

Molecular Properties

Compound Name1-propan-2-yloxy-1-prop-2-enylcyclobutane
PubChem CID59833057
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-propan-2-yloxy-1-prop-2-enylcyclobutane
SMILESC=CCC1(OC(C)C)CCC1
InChIInChI=1S/C10H18O/c1-4-6-10(7-5-8-10)11-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyYYKSIOBXFWBBAI-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-1-prop-2-enylcyclobutane?
The IUPAC name of 1-propan-2-yloxy-1-prop-2-enylcyclobutane (CID 59833057) is 1-propan-2-yloxy-1-prop-2-enylcyclobutane.
What is the SMILES notation for 1-propan-2-yloxy-1-prop-2-enylcyclobutane?
The canonical SMILES for 1-propan-2-yloxy-1-prop-2-enylcyclobutane is C=CCC1(OC(C)C)CCC1.
What is the InChIKey of 1-propan-2-yloxy-1-prop-2-enylcyclobutane?
The InChIKey is YYKSIOBXFWBBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-10(7-5-8-10)11-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-propan-2-yloxy-1-prop-2-enylcyclobutane?
1-propan-2-yloxy-1-prop-2-enylcyclobutane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-1-prop-2-enylcyclobutane is sourced from PubChem (CID 59833057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).