2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol

C10H18O4 — CID 166730220

IUPAC2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol
SMILESC=C(C)C1OC(OC(C)C)C(O)C1O
InChIInChI=1S/C10H18O4/c1-5(2)9-7(11)8(12)10(14-9)13-6(3)4/h6-12H,1H2,2-4H3
InChIKeyAQLFYSODGQVDRR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.43
Rot. Bonds3

About 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol

2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol (PubChem CID 166730220) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol
PubChem CID166730220
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol
SMILESC=C(C)C1OC(OC(C)C)C(O)C1O
InChIInChI=1S/C10H18O4/c1-5(2)9-7(11)8(12)10(14-9)13-6(3)4/h6-12H,1H2,2-4H3
InChIKeyAQLFYSODGQVDRR-UHFFFAOYSA-N
XLogP0.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid;4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid
CID 158242237
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxyoxane-2-carboxylic acid
CID 155235961
methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate
CID 159449043
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3S,4S,6R)-2-ethynyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 88893455
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162993704

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol?
The IUPAC name of 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol (CID 166730220) is 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol.
What is the SMILES notation for 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol?
The canonical SMILES for 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol is C=C(C)C1OC(OC(C)C)C(O)C1O.
What is the InChIKey of 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol?
The InChIKey is AQLFYSODGQVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5(2)9-7(11)8(12)10(14-9)13-6(3)4/h6-12H,1H2,2-4H3.
What are the key properties of 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol?
2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol has a molecular weight of 202.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol is sourced from PubChem (CID 166730220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).