2,2-di(propan-2-yl)-5-prop-2-enyloxolane

C13H24O — CID 14925028

IUPAC2,2-di(propan-2-yl)-5-prop-2-enyloxolane
SMILESC=CCC1CCC(C(C)C)(C(C)C)O1
InChIInChI=1S/C13H24O/c1-6-7-12-8-9-13(14-12,10(2)3)11(4)5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyHZWSSDFRECRWHV-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds4

About 2,2-di(propan-2-yl)-5-prop-2-enyloxolane

2,2-di(propan-2-yl)-5-prop-2-enyloxolane (PubChem CID 14925028) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-5-prop-2-enyloxolane.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-5-prop-2-enyloxolane
PubChem CID14925028
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,2-di(propan-2-yl)-5-prop-2-enyloxolane
SMILESC=CCC1CCC(C(C)C)(C(C)C)O1
InChIInChI=1S/C13H24O/c1-6-7-12-8-9-13(14-12,10(2)3)11(4)5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyHZWSSDFRECRWHV-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
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 2,2-di(propan-2-yl)-5-prop-2-enyloxolane?
The IUPAC name of 2,2-di(propan-2-yl)-5-prop-2-enyloxolane (CID 14925028) is 2,2-di(propan-2-yl)-5-prop-2-enyloxolane.
What is the SMILES notation for 2,2-di(propan-2-yl)-5-prop-2-enyloxolane?
The canonical SMILES for 2,2-di(propan-2-yl)-5-prop-2-enyloxolane is C=CCC1CCC(C(C)C)(C(C)C)O1.
What is the InChIKey of 2,2-di(propan-2-yl)-5-prop-2-enyloxolane?
The InChIKey is HZWSSDFRECRWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-12-8-9-13(14-12,10(2)3)11(4)5/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2,2-di(propan-2-yl)-5-prop-2-enyloxolane?
2,2-di(propan-2-yl)-5-prop-2-enyloxolane has a molecular weight of 196.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-5-prop-2-enyloxolane is sourced from PubChem (CID 14925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).