(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane

C10H18O — CID 44606708

IUPAC(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane
SMILESCC(C)=C[C@@H]1CC[C@H](C)CO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-5-4-9(3)7-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
InChIKeyZBCCUWZRJMGIBB-UWVGGRQHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

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

(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane (PubChem CID 44606708) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane.

Molecular Properties

Compound Name(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane
PubChem CID44606708
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane
SMILESCC(C)=C[C@@H]1CC[C@H](C)CO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-5-4-9(3)7-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
InChIKeyZBCCUWZRJMGIBB-UWVGGRQHSA-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 (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane?
The IUPAC name of (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane (CID 44606708) is (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane.
What is the SMILES notation for (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane?
The canonical SMILES for (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane is CC(C)=C[C@@H]1CC[C@H](C)CO1.
What is the InChIKey of (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane?
The InChIKey is ZBCCUWZRJMGIBB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-10-5-4-9(3)7-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane?
(2S,5S)-5-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 (2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane is sourced from PubChem (CID 44606708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).