methane;oxolan-2-ol

C5H12O2 — CID 174893517

IUPACmethane;oxolan-2-ol
SMILESC.OC1CCCO1
InChIInChI=1S/C4H8O2.CH4/c5-4-2-1-3-6-4;/h4-5H,1-3H2;1H4
InChIKeyIEOLRKVYFXSOQE-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.75
Rot. Bonds

About methane;oxolan-2-ol

methane;oxolan-2-ol (PubChem CID 174893517) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is methane;oxolan-2-ol.

Molecular Properties

Compound Namemethane;oxolan-2-ol
PubChem CID174893517
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Namemethane;oxolan-2-ol
SMILESC.OC1CCCO1
InChIInChI=1S/C4H8O2.CH4/c5-4-2-1-3-6-4;/h4-5H,1-3H2;1H4
InChIKeyIEOLRKVYFXSOQE-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;oxolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 161132598
CID 161132598
ethene;oxolan-2-ol
CID 175689384
magnesium;ethane;oxan-2-ol;hydrobromide
CID 173423847
oxetan-2-ol
CID 175273147
1,5-dioxocan-2-ol
CID 141332060
magnesium;oxan-2-ol;prop-1-yne
CID 173361213
2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
CID 145143848
dioxan-3-ol
CID 11970579
5-hydroxypentanal;oxan-2-ol
CID 16639559
2-silyloxan-3-ol
CID 174848934
6-ethyloxan-2-one;oxan-2-ol
CID 144771613
2-(2-methylprop-1-enyl)oxolane
CID 12735917

Frequently Asked Questions

What is the IUPAC name of methane;oxolan-2-ol?
The IUPAC name of methane;oxolan-2-ol (CID 174893517) is methane;oxolan-2-ol.
What is the SMILES notation for methane;oxolan-2-ol?
The canonical SMILES for methane;oxolan-2-ol is C.OC1CCCO1.
What is the InChIKey of methane;oxolan-2-ol?
The InChIKey is IEOLRKVYFXSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH4/c5-4-2-1-3-6-4;/h4-5H,1-3H2;1H4.
What are the key properties of methane;oxolan-2-ol?
methane;oxolan-2-ol has a molecular weight of 104.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxolan-2-ol is sourced from PubChem (CID 174893517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).