(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane

C11H18O2 — CID 102152351

IUPAC(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane
SMILESC=CCC[C@H]1CC[C@@](C)([C@H]2CO2)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-9-6-7-11(2,13-9)10-8-12-10/h3,9-10H,1,4-8H2,2H3/t9-,10+,11-/m0/s1
InChIKeyQKDAWXFSNXWGIE-AXFHLTTASA-N
MW182.26 g/mol
LogP2.29
Rot. Bonds4

About (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane

(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane (PubChem CID 102152351) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane.

Molecular Properties

Compound Name(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane
PubChem CID102152351
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane
SMILESC=CCC[C@H]1CC[C@@](C)([C@H]2CO2)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-9-6-7-11(2,13-9)10-8-12-10/h3,9-10H,1,4-8H2,2H3/t9-,10+,11-/m0/s1
InChIKeyQKDAWXFSNXWGIE-AXFHLTTASA-N
XLogP2.29
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyloxolan-2-yl)-3,4-dihydro-2H-pyran
CID 57051391
2-Ethenyl-2-methyl-5-(2-methyloxiran-2-yl)oxolane
CID 85840836
3-Methoxy-2-methyl-5-propan-2-yl-2-prop-2-enyloxolane
CID 91462396
2-[(3-Methyl-1-propan-2-yloxyoct-7-en-3-yl)oxymethyl]oxirane
CID 123541043
2-(4-Ethylnon-8-enoxymethyl)oxirane
CID 123821408
tributyl-[(E,3R,4R)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
CID 164821937
tributyl-[(E,3R,4S)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
CID 164821954
[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
CID 175755188
(2S,5S)-5-ethenyl-2-methyl-2-[(2R,5S)-5-methyl-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxolane
CID 11961349
(1R)-1-[(2S,5S)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol
CID 102152349
(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol
CID 102152350
(2S,5R)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane
CID 102152352

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane?
The IUPAC name of (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane (CID 102152351) is (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane.
What is the SMILES notation for (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane?
The canonical SMILES for (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane is C=CCC[C@H]1CC[C@@](C)([C@H]2CO2)O1.
What is the InChIKey of (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane?
The InChIKey is QKDAWXFSNXWGIE-AXFHLTTASA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-9-6-7-11(2,13-9)10-8-12-10/h3,9-10H,1,4-8H2,2H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane?
(2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane has a molecular weight of 182.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-but-3-enyl-2-methyl-2-[(2R)-oxiran-2-yl]oxolane is sourced from PubChem (CID 102152351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).