4-methyl-2-methylidene-4-propan-2-yloxolane

C9H16O — CID 121353259

IUPAC4-methyl-2-methylidene-4-propan-2-yloxolane
SMILESC=C1CC(C)(C(C)C)CO1
InChIInChI=1S/C9H16O/c1-7(2)9(4)5-8(3)10-6-9/h7H,3,5-6H2,1-2,4H3
InChIKeyPFWADCOCCYRFKA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds1

About 4-methyl-2-methylidene-4-propan-2-yloxolane

4-methyl-2-methylidene-4-propan-2-yloxolane (PubChem CID 121353259) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-2-methylidene-4-propan-2-yloxolane.

Molecular Properties

Compound Name4-methyl-2-methylidene-4-propan-2-yloxolane
PubChem CID121353259
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyl-2-methylidene-4-propan-2-yloxolane
SMILESC=C1CC(C)(C(C)C)CO1
InChIInChI=1S/C9H16O/c1-7(2)9(4)5-8(3)10-6-9/h7H,3,5-6H2,1-2,4H3
InChIKeyPFWADCOCCYRFKA-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-4-propan-2-yloxolane?
The IUPAC name of 4-methyl-2-methylidene-4-propan-2-yloxolane (CID 121353259) is 4-methyl-2-methylidene-4-propan-2-yloxolane.
What is the SMILES notation for 4-methyl-2-methylidene-4-propan-2-yloxolane?
The canonical SMILES for 4-methyl-2-methylidene-4-propan-2-yloxolane is C=C1CC(C)(C(C)C)CO1.
What is the InChIKey of 4-methyl-2-methylidene-4-propan-2-yloxolane?
The InChIKey is PFWADCOCCYRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9(4)5-8(3)10-6-9/h7H,3,5-6H2,1-2,4H3.
What are the key properties of 4-methyl-2-methylidene-4-propan-2-yloxolane?
4-methyl-2-methylidene-4-propan-2-yloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-4-propan-2-yloxolane is sourced from PubChem (CID 121353259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).