(2S)-2-but-3-enyloxolan-2-ol

C8H14O2 — CID 86339369

IUPAC(2S)-2-but-3-enyloxolan-2-ol
SMILESC=CCC[C@@]1(O)CCCO1
InChIInChI=1S/C8H14O2/c1-2-3-5-8(9)6-4-7-10-8/h2,9H,1,3-7H2/t8-/m0/s1
InChIKeyHNUUDHZBPPFTHT-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds3

About (2S)-2-but-3-enyloxolan-2-ol

(2S)-2-but-3-enyloxolan-2-ol (PubChem CID 86339369) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2-but-3-enyloxolan-2-ol.

Molecular Properties

Compound Name(2S)-2-but-3-enyloxolan-2-ol
PubChem CID86339369
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S)-2-but-3-enyloxolan-2-ol
SMILESC=CCC[C@@]1(O)CCCO1
InChIInChI=1S/C8H14O2/c1-2-3-5-8(9)6-4-7-10-8/h2,9H,1,3-7H2/t8-/m0/s1
InChIKeyHNUUDHZBPPFTHT-QMMMGPOBSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dioxaspiro[4.5]dec-7-ene
CID 14321881
(5R)-5-but-3-enyloxolan-2-ol
CID 163239251
(2-But-3-enyloxolan-2-yl) hypoiodite
CID 10084364
5-(But-3-en-1-yl)tetrahydrofuran-2-ol
CID 13244267
2-(But-3-en-1-yl)tetrahydrofuran-2-ol
CID 13867906
2-(Pent-4-en-1-yl)tetrahydrofuran-2-ol
CID 84819607
(2R)-2-but-3-enyloxolan-2-ol
CID 86339368
(2R,5R)-5-but-3-enyloxolan-2-ol
CID 86339370
(2R,5S)-5-but-3-enyloxolan-2-ol
CID 86339371
(2S,5R)-5-but-3-enyloxolan-2-ol
CID 86339372
(2S,5S)-5-but-3-enyloxolan-2-ol
CID 86339373
(2R)-2-pent-4-enyloxolan-2-ol
CID 86339374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enyloxolan-2-ol?
The IUPAC name of (2S)-2-but-3-enyloxolan-2-ol (CID 86339369) is (2S)-2-but-3-enyloxolan-2-ol.
What is the SMILES notation for (2S)-2-but-3-enyloxolan-2-ol?
The canonical SMILES for (2S)-2-but-3-enyloxolan-2-ol is C=CCC[C@@]1(O)CCCO1.
What is the InChIKey of (2S)-2-but-3-enyloxolan-2-ol?
The InChIKey is HNUUDHZBPPFTHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-5-8(9)6-4-7-10-8/h2,9H,1,3-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-but-3-enyloxolan-2-ol?
(2S)-2-but-3-enyloxolan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enyloxolan-2-ol is sourced from PubChem (CID 86339369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).