2-methylidene-3-propan-2-yloxolane

C8H14O — CID 154592647

IUPAC2-methylidene-3-propan-2-yloxolane
SMILESC=C1OCCC1C(C)C
InChIInChI=1S/C8H14O/c1-6(2)8-4-5-9-7(8)3/h6,8H,3-5H2,1-2H3
InChIKeyHZXUNXBIZAXLNX-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds1

About 2-methylidene-3-propan-2-yloxolane

2-methylidene-3-propan-2-yloxolane (PubChem CID 154592647) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-yloxolane.

Molecular Properties

Compound Name2-methylidene-3-propan-2-yloxolane
PubChem CID154592647
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methylidene-3-propan-2-yloxolane
SMILESC=C1OCCC1C(C)C
InChIInChI=1S/C8H14O/c1-6(2)8-4-5-9-7(8)3/h6,8H,3-5H2,1-2H3
InChIKeyHZXUNXBIZAXLNX-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-yloxolane?
The IUPAC name of 2-methylidene-3-propan-2-yloxolane (CID 154592647) is 2-methylidene-3-propan-2-yloxolane.
What is the SMILES notation for 2-methylidene-3-propan-2-yloxolane?
The canonical SMILES for 2-methylidene-3-propan-2-yloxolane is C=C1OCCC1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-yloxolane?
The InChIKey is HZXUNXBIZAXLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)8-4-5-9-7(8)3/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-yloxolane?
2-methylidene-3-propan-2-yloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-yloxolane is sourced from PubChem (CID 154592647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).