(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol

C10H18O3 — CID 135037007

IUPAC(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
SMILESC/C(=C\CO)[C@H]1CC(O)C(C)(C)O1
InChIInChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9?/m1/s1
InChIKeyIHHQHUMLWMNJGX-FGFWFYCYSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds2

About (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol

(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol (PubChem CID 135037007) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
PubChem CID135037007
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
SMILESC/C(=C\CO)[C@H]1CC(O)C(C)(C)O1
InChIInChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9?/m1/s1
InChIKeyIHHQHUMLWMNJGX-FGFWFYCYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol with MolForge

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Related Compounds

acetic acid;3-(5,5-dimethyl-1,3-dioxan-2-yl)but-2-en-1-ol
CID 71387916
(3R,4aS,8aR)-3-[(E)-4-hydroxybut-2-en-2-yl]-5,5,8a-trimethyl-4,4a-dihydro-3H-1,2-benzodioxin-6-one
CID 162850231
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
3-(5,5-dimethyl-1-oxido-1,3-dioxan-1-ium-2-yl)but-2-en-1-ol
CID 141326826
3-methylbut-2-en-1-ol;hydrate
CID 172859141
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol
CID 139590778
(5E)-5-[[(3R,6S)-6-[(E)-4-hydroxybut-2-en-2-yl]-3-methyldioxan-3-yl]methylidene]-3-methylfuran-2-one
CID 101395665
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
(4R,6S)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 86744464
(1S,4R,6R)-1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 155291223

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The IUPAC name of (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol (CID 135037007) is (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol.
What is the SMILES notation for (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The canonical SMILES for (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol is C/C(=C\CO)[C@H]1CC(O)C(C)(C)O1.
What is the InChIKey of (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
The InChIKey is IHHQHUMLWMNJGX-FGFWFYCYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(4-5-11)8-6-9(12)10(2,3)13-8/h4,8-9,11-12H,5-6H2,1-3H3/b7-4+/t8-,9?/m1/s1.
What are the key properties of (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol?
(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol has a molecular weight of 186.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol is sourced from PubChem (CID 135037007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).