4-methyl-2-prop-1-en-2-yloxolan-3-ol

C8H14O2 — CID 123852564

IUPAC4-methyl-2-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)C1OCC(C)C1O
InChIInChI=1S/C8H14O2/c1-5(2)8-7(9)6(3)4-10-8/h6-9H,1,4H2,2-3H3
InChIKeyKMMSTYMZMOETOK-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds1

About 4-methyl-2-prop-1-en-2-yloxolan-3-ol

4-methyl-2-prop-1-en-2-yloxolan-3-ol (PubChem CID 123852564) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methyl-2-prop-1-en-2-yloxolan-3-ol.

Molecular Properties

Compound Name4-methyl-2-prop-1-en-2-yloxolan-3-ol
PubChem CID123852564
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methyl-2-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)C1OCC(C)C1O
InChIInChI=1S/C8H14O2/c1-5(2)8-7(9)6(3)4-10-8/h6-9H,1,4H2,2-3H3
InChIKeyKMMSTYMZMOETOK-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
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,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
CID 102378266
(3S,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
CID 132918707
(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
CID 135054378
CID 57693377
CID 57693377
(3S,4S,5S)-5-ethyl-4-methoxy-5-prop-1-en-2-yl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
CID 58166387
(2S,3R,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol
CID 58503401
(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
CID 59041889
(2R,3S,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
CID 59263722
2-Ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 68757550
(2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol
CID 88976520
CID 89272695
CID 89272695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-1-en-2-yloxolan-3-ol?
The IUPAC name of 4-methyl-2-prop-1-en-2-yloxolan-3-ol (CID 123852564) is 4-methyl-2-prop-1-en-2-yloxolan-3-ol.
What is the SMILES notation for 4-methyl-2-prop-1-en-2-yloxolan-3-ol?
The canonical SMILES for 4-methyl-2-prop-1-en-2-yloxolan-3-ol is C=C(C)C1OCC(C)C1O.
What is the InChIKey of 4-methyl-2-prop-1-en-2-yloxolan-3-ol?
The InChIKey is KMMSTYMZMOETOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)8-7(9)6(3)4-10-8/h6-9H,1,4H2,2-3H3.
What are the key properties of 4-methyl-2-prop-1-en-2-yloxolan-3-ol?
4-methyl-2-prop-1-en-2-yloxolan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-1-en-2-yloxolan-3-ol is sourced from PubChem (CID 123852564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).