4-methyl-2-(2-methylprop-1-enyl)oxane

C10H18O — CID 27866

IUPAC4-methyl-2-(2-methylprop-1-enyl)oxane
SMILESCC(C)=CC1CC(C)CCO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyCZCBTSFUTPZVKJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 4-methyl-2-(2-methylprop-1-enyl)oxane

4-methyl-2-(2-methylprop-1-enyl)oxane (PubChem CID 27866) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-1-enyl)oxane.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-1-enyl)oxane
PubChem CID27866
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methyl-2-(2-methylprop-1-enyl)oxane
SMILESCC(C)=CC1CC(C)CCO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyCZCBTSFUTPZVKJ-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 4-methyl-2-(2-methylprop-1-enyl)oxane?
The IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)oxane (CID 27866) is 4-methyl-2-(2-methylprop-1-enyl)oxane.
What is the SMILES notation for 4-methyl-2-(2-methylprop-1-enyl)oxane?
The canonical SMILES for 4-methyl-2-(2-methylprop-1-enyl)oxane is CC(C)=CC1CC(C)CCO1.
What is the InChIKey of 4-methyl-2-(2-methylprop-1-enyl)oxane?
The InChIKey is CZCBTSFUTPZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylprop-1-enyl)oxane?
4-methyl-2-(2-methylprop-1-enyl)oxane 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 4-methyl-2-(2-methylprop-1-enyl)oxane is sourced from PubChem (CID 27866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).