(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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Related Compounds

(+-)-Nerol oxide
CID 61275
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832

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).