2-methyloxirane;prop-2-enal

C6H10O2 — CID 159099687

IUPAC2-methyloxirane;prop-2-enal
SMILESC=CC=O.CC1CO1
InChIInChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;2-3H,1H2
InChIKeyKDCVJDNMAAYVCS-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds1

About 2-methyloxirane;prop-2-enal

2-methyloxirane;prop-2-enal (PubChem CID 159099687) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyloxirane;prop-2-enal.

Molecular Properties

Compound Name2-methyloxirane;prop-2-enal
PubChem CID159099687
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyloxirane;prop-2-enal
SMILESC=CC=O.CC1CO1
InChIInChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;2-3H,1H2
InChIKeyKDCVJDNMAAYVCS-UHFFFAOYSA-N
XLogP0.78
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methyloxirane;bis(prop-1-ene)
CID 157154960
ethane;2-methyloxirane;prop-1-ene
CID 159933828
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
2-methyloxirane;molecular iodine
CID 91277313
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427
methane;prop-2-enal
CID 173485967
alumane;prop-2-enal
CID 174642654

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;prop-2-enal?
The IUPAC name of 2-methyloxirane;prop-2-enal (CID 159099687) is 2-methyloxirane;prop-2-enal.
What is the SMILES notation for 2-methyloxirane;prop-2-enal?
The canonical SMILES for 2-methyloxirane;prop-2-enal is C=CC=O.CC1CO1.
What is the InChIKey of 2-methyloxirane;prop-2-enal?
The InChIKey is KDCVJDNMAAYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H4O/c1-3-2-4-3;1-2-3-4/h3H,2H2,1H3;2-3H,1H2.
What are the key properties of 2-methyloxirane;prop-2-enal?
2-methyloxirane;prop-2-enal has a molecular weight of 114.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;prop-2-enal is sourced from PubChem (CID 159099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).