(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane

C11H20O — CID 90362250

IUPAC(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane
SMILESCC/C=C/C[C@@H]1O[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-9(2)8-10(3)12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+/t9-,10+,11-/m0/s1
InChIKeyORQRELAYUXAILJ-VJZJGBKASA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane

(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane (PubChem CID 90362250) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane.

Molecular Properties

Compound Name(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane
PubChem CID90362250
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane
SMILESCC/C=C/C[C@@H]1O[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-9(2)8-10(3)12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+/t9-,10+,11-/m0/s1
InChIKeyORQRELAYUXAILJ-VJZJGBKASA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The IUPAC name of (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane (CID 90362250) is (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane.
What is the SMILES notation for (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The canonical SMILES for (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane is CC/C=C/C[C@@H]1O[C@H](C)C[C@@H]1C.
What is the InChIKey of (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The InChIKey is ORQRELAYUXAILJ-VJZJGBKASA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-11-9(2)8-10(3)12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane?
(2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3,5-dimethyl-2-[(E)-pent-2-enyl]oxolane is sourced from PubChem (CID 90362250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).