ethene;5-(hydroxymethyl)-3-methyloxolan-2-one

C8H14O3 — CID 142303807

IUPACethene;5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC=C.CC1CC(CO)OC1=O
InChIInChI=1S/C6H10O3.C2H4/c1-4-2-5(3-7)9-6(4)8;1-2/h4-5,7H,2-3H2,1H3;1-2H2
InChIKeyZSFHKSPEJFEFGQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds1

About ethene;5-(hydroxymethyl)-3-methyloxolan-2-one

ethene;5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 142303807) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethene;5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Nameethene;5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID142303807
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethene;5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC=C.CC1CC(CO)OC1=O
InChIInChI=1S/C6H10O3.C2H4/c1-4-2-5(3-7)9-6(4)8;1-2/h4-5,7H,2-3H2,1H3;1-2H2
InChIKeyZSFHKSPEJFEFGQ-UHFFFAOYSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-3-methyloxolan-2-one
CID 13462626
5-(4-hydroxybutyl)-3-methyloxolan-2-one
CID 75152246
(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
CID 163712625
(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 11137204
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 14859657
(4-methyl-5-oxooxolan-2-yl)methyl formate
CID 162736854
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546
(3R,5S)-5-(hydroxymethyl)-3-[(1S)-1-hydroxy-4-methylpentyl]oxolan-2-one
CID 38350557
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
CID 23872094
5-hydroxy-3-methyloxolan-2-one
CID 12794198
methyl 5-(hydroxymethyl)-2-oxooxolane-3-carboxylate
CID 75089899

Frequently Asked Questions

What is the IUPAC name of ethene;5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of ethene;5-(hydroxymethyl)-3-methyloxolan-2-one (CID 142303807) is ethene;5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for ethene;5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for ethene;5-(hydroxymethyl)-3-methyloxolan-2-one is C=C.CC1CC(CO)OC1=O.
What is the InChIKey of ethene;5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is ZSFHKSPEJFEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H4/c1-4-2-5(3-7)9-6(4)8;1-2/h4-5,7H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;5-(hydroxymethyl)-3-methyloxolan-2-one?
ethene;5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 142303807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).