(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol

C13H24O2 — CID 134224514

IUPAC(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol
SMILESCCCCC/C=C/C[C@]1(C)CCC(O)O1
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-10-13(2)11-9-12(14)15-13/h7-8,12,14H,3-6,9-11H2,1-2H3/b8-7+/t12?,13-/m1/s1
InChIKeyDOJHBJXEALTTNI-LSNMFCFLSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds6

About (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol

(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol (PubChem CID 134224514) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol
PubChem CID134224514
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol
SMILESCCCCC/C=C/C[C@]1(C)CCC(O)O1
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-10-13(2)11-9-12(14)15-13/h7-8,12,14H,3-6,9-11H2,1-2H3/b8-7+/t12?,13-/m1/s1
InChIKeyDOJHBJXEALTTNI-LSNMFCFLSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol?
The IUPAC name of (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol (CID 134224514) is (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol.
What is the SMILES notation for (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol?
The canonical SMILES for (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol is CCCCC/C=C/C[C@]1(C)CCC(O)O1.
What is the InChIKey of (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol?
The InChIKey is DOJHBJXEALTTNI-LSNMFCFLSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-6-7-8-10-13(2)11-9-12(14)15-13/h7-8,12,14H,3-6,9-11H2,1-2H3/b8-7+/t12?,13-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol?
(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol has a molecular weight of 212.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol is sourced from PubChem (CID 134224514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).