4-methyl-2-propan-2-ylideneoxolane

C8H14O — CID 139246819

IUPAC4-methyl-2-propan-2-ylideneoxolane
SMILESCC(C)=C1CC(C)CO1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h7H,4-5H2,1-3H3
InChIKeyDURYFMOXFWSWEN-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

About 4-methyl-2-propan-2-ylideneoxolane

4-methyl-2-propan-2-ylideneoxolane (PubChem CID 139246819) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylideneoxolane.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylideneoxolane
PubChem CID139246819
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-2-propan-2-ylideneoxolane
SMILESCC(C)=C1CC(C)CO1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h7H,4-5H2,1-3H3
InChIKeyDURYFMOXFWSWEN-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylideneoxolane?
The IUPAC name of 4-methyl-2-propan-2-ylideneoxolane (CID 139246819) is 4-methyl-2-propan-2-ylideneoxolane.
What is the SMILES notation for 4-methyl-2-propan-2-ylideneoxolane?
The canonical SMILES for 4-methyl-2-propan-2-ylideneoxolane is CC(C)=C1CC(C)CO1.
What is the InChIKey of 4-methyl-2-propan-2-ylideneoxolane?
The InChIKey is DURYFMOXFWSWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylideneoxolane?
4-methyl-2-propan-2-ylideneoxolane has a molecular weight of 126.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylideneoxolane is sourced from PubChem (CID 139246819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).