(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol

C10H18O2 — CID 72695873

IUPAC(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol
SMILESC/C=C(\C)[C@H]1C[C@@H](O)[C@@H](CC)O1
InChIInChI=1S/C10H18O2/c1-4-7(3)10-6-8(11)9(5-2)12-10/h4,8-11H,5-6H2,1-3H3/b7-4+/t8-,9-,10-/m1/s1
InChIKeyZZVQTDCCTLLWDK-KTMBLFECSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol

(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol (PubChem CID 72695873) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol
PubChem CID72695873
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol
SMILESC/C=C(\C)[C@H]1C[C@@H](O)[C@@H](CC)O1
InChIInChI=1S/C10H18O2/c1-4-7(3)10-6-8(11)9(5-2)12-10/h4,8-11H,5-6H2,1-3H3/b7-4+/t8-,9-,10-/m1/s1
InChIKeyZZVQTDCCTLLWDK-KTMBLFECSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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

(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
CID 58978831
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
(2S,3R,5S)-2-ethyloxane-3,5-diol
CID 148598014
(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10888666
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
CID 70594997
[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
CID 23240872
(1R,3S,4R,6S,7R,9R)-3-ethyl-9-pent-2-en-4-ynyl-2,8-dioxabicyclo[5.2.1]decane-4,6-diol
CID 163185772
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol (CID 72695873) is (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol is C/C=C(\C)[C@H]1C[C@@H](O)[C@@H](CC)O1.
What is the InChIKey of (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol?
The InChIKey is ZZVQTDCCTLLWDK-KTMBLFECSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-7(3)10-6-8(11)9(5-2)12-10/h4,8-11H,5-6H2,1-3H3/b7-4+/t8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol?
(2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(E)-but-2-en-2-yl]-2-ethyloxolan-3-ol is sourced from PubChem (CID 72695873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).