(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane

C9H16O — CID 70678383

IUPAC(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane
SMILESCC(C)=C[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C9H16O/c1-7(2)6-9-5-4-8(3)10-9/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyDQFFLJDCWYFYBG-BDAKNGLRSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane

(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane (PubChem CID 70678383) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane.

Molecular Properties

Compound Name(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane
PubChem CID70678383
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane
SMILESCC(C)=C[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C9H16O/c1-7(2)6-9-5-4-8(3)10-9/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyDQFFLJDCWYFYBG-BDAKNGLRSA-N
XLogP2.52
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 ≤ 52.52
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 (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane?
The IUPAC name of (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane (CID 70678383) is (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane.
What is the SMILES notation for (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane?
The canonical SMILES for (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane is CC(C)=C[C@@H]1CC[C@@H](C)O1.
What is the InChIKey of (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane?
The InChIKey is DQFFLJDCWYFYBG-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)6-9-5-4-8(3)10-9/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane?
(2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolane is sourced from PubChem (CID 70678383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).