2,5-dimethyl-2-prop-2-enyloxolane

C9H16O — CID 91139131

IUPAC2,5-dimethyl-2-prop-2-enyloxolane
SMILESC=CCC1(C)CCC(C)O1
InChIInChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h4,8H,1,5-7H2,2-3H3
InChIKeyFXEZKBGSCUPYGA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2,5-dimethyl-2-prop-2-enyloxolane

2,5-dimethyl-2-prop-2-enyloxolane (PubChem CID 91139131) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,5-dimethyl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name2,5-dimethyl-2-prop-2-enyloxolane
PubChem CID91139131
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,5-dimethyl-2-prop-2-enyloxolane
SMILESC=CCC1(C)CCC(C)O1
InChIInChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h4,8H,1,5-7H2,2-3H3
InChIKeyFXEZKBGSCUPYGA-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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 2,5-dimethyl-2-prop-2-enyloxolane?
The IUPAC name of 2,5-dimethyl-2-prop-2-enyloxolane (CID 91139131) is 2,5-dimethyl-2-prop-2-enyloxolane.
What is the SMILES notation for 2,5-dimethyl-2-prop-2-enyloxolane?
The canonical SMILES for 2,5-dimethyl-2-prop-2-enyloxolane is C=CCC1(C)CCC(C)O1.
What is the InChIKey of 2,5-dimethyl-2-prop-2-enyloxolane?
The InChIKey is FXEZKBGSCUPYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2,5-dimethyl-2-prop-2-enyloxolane?
2,5-dimethyl-2-prop-2-enyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-prop-2-enyloxolane is sourced from PubChem (CID 91139131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).