carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane

C16H20O10 — CID 159477094

IUPACcarbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane
SMILESC1CO1.CC1CC(=O)O1.CC1CO1.O=C1CCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C4H6O2.C3H4O2.C3H6O.C2H4O.4CO/c1-3-2-4(5)6-3;4-3-1-2-5-3;1-3-2-4-3;1-2-3-1;4*1-2/h3H,2H2,1H3;1-2H2;3H,2H2,1H3;1-2H2;;;;
InChIKeyLWNBAENMKVQSIN-UHFFFAOYSA-N
MW372.33 g/mol
LogP0.53
Rot. Bonds

About carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane

carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane (PubChem CID 159477094) has the molecular formula C16H20O10 and a molecular weight of 372.33 g/mol. Its IUPAC name is carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane.

Molecular Properties

Compound Namecarbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane
PubChem CID159477094
Molecular FormulaC16H20O10
Molecular Weight372.33 g/mol
Exact Mass372.11
IUPAC Namecarbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane
SMILESC1CO1.CC1CC(=O)O1.CC1CO1.O=C1CCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C4H6O2.C3H4O2.C3H6O.C2H4O.4CO/c1-3-2-4(5)6-3;4-3-1-2-5-3;1-3-2-4-3;1-2-3-1;4*1-2/h3H,2H2,1H3;1-2H2;3H,2H2,1H3;1-2H2;;;;
InChIKeyLWNBAENMKVQSIN-UHFFFAOYSA-N
XLogP0.53
TPSA157.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-methyloxetan-2-one;oxetan-2-one
CID 22715627
(2-methyloxirane);oxirane
CID 173423277
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
furan-2,5-dione;2-methyloxirane;oxirane
CID 170852253
(6R)-6-methyloxane-2,4-dione
CID 11804775
5-methyloxolan-2-one
CID 69397003
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
6-methyloxan-2-one;oxepan-2-one
CID 167589650
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
7-iodo-6-methyl-1,5-dioxocan-2-one
CID 10423226

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane?
The IUPAC name of carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane (CID 159477094) is carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane.
What is the SMILES notation for carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane?
The canonical SMILES for carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane is C1CO1.CC1CC(=O)O1.CC1CO1.O=C1CCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane?
The InChIKey is LWNBAENMKVQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2.C3H6O.C2H4O.4CO/c1-3-2-4(5)6-3;4-3-1-2-5-3;1-3-2-4-3;1-2-3-1;4*1-2/h3H,2H2,1H3;1-2H2;3H,2H2,1H3;1-2H2;;;;.
What are the key properties of carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane?
carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane has a molecular weight of 372.33 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;4-methyloxetan-2-one;2-methyloxirane;oxetan-2-one;oxirane is sourced from PubChem (CID 159477094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).