2-propan-2-yl-3-propan-2-ylideneoxolane

C10H18O — CID 129094849

IUPAC2-propan-2-yl-3-propan-2-ylideneoxolane
SMILESCC(C)=C1CCOC1C(C)C
InChIInChI=1S/C10H18O/c1-7(2)9-5-6-11-10(9)8(3)4/h8,10H,5-6H2,1-4H3
InChIKeyJBDBNCSFLPUQMF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 2-propan-2-yl-3-propan-2-ylideneoxolane

2-propan-2-yl-3-propan-2-ylideneoxolane (PubChem CID 129094849) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-propan-2-yl-3-propan-2-ylideneoxolane.

Molecular Properties

Compound Name2-propan-2-yl-3-propan-2-ylideneoxolane
PubChem CID129094849
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-propan-2-yl-3-propan-2-ylideneoxolane
SMILESCC(C)=C1CCOC1C(C)C
InChIInChI=1S/C10H18O/c1-7(2)9-5-6-11-10(9)8(3)4/h8,10H,5-6H2,1-4H3
InChIKeyJBDBNCSFLPUQMF-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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-propan-2-yl-3-propan-2-ylideneoxolane?
The IUPAC name of 2-propan-2-yl-3-propan-2-ylideneoxolane (CID 129094849) is 2-propan-2-yl-3-propan-2-ylideneoxolane.
What is the SMILES notation for 2-propan-2-yl-3-propan-2-ylideneoxolane?
The canonical SMILES for 2-propan-2-yl-3-propan-2-ylideneoxolane is CC(C)=C1CCOC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-propan-2-ylideneoxolane?
The InChIKey is JBDBNCSFLPUQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-6-11-10(9)8(3)4/h8,10H,5-6H2,1-4H3.
What are the key properties of 2-propan-2-yl-3-propan-2-ylideneoxolane?
2-propan-2-yl-3-propan-2-ylideneoxolane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-propan-2-ylideneoxolane is sourced from PubChem (CID 129094849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).