1-(oxiran-2-yl)but-3-en-2-ol

C6H10O2 — CID 11051612

IUPAC1-(oxiran-2-yl)but-3-en-2-ol
SMILESC=CC(O)CC1CO1
InChIInChI=1S/C6H10O2/c1-2-5(7)3-6-4-8-6/h2,5-7H,1,3-4H2
InChIKeyICVCCOQKNDCWOM-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds3

About 1-(oxiran-2-yl)but-3-en-2-ol

1-(oxiran-2-yl)but-3-en-2-ol (PubChem CID 11051612) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-(oxiran-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name1-(oxiran-2-yl)but-3-en-2-ol
PubChem CID11051612
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-(oxiran-2-yl)but-3-en-2-ol
SMILESC=CC(O)CC1CO1
InChIInChI=1S/C6H10O2/c1-2-5(7)3-6-4-8-6/h2,5-7H,1,3-4H2
InChIKeyICVCCOQKNDCWOM-UHFFFAOYSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol
CID 10887864
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
(2S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10867343
2-(2-ethenylpent-4-enyl)oxirane
CID 173438143
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248
N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine
CID 174623165
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
1-cyclopentylbut-3-en-2-ol
CID 19868238
4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)but-3-enoate
CID 173416070
1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol
CID 174738716

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)but-3-en-2-ol?
The IUPAC name of 1-(oxiran-2-yl)but-3-en-2-ol (CID 11051612) is 1-(oxiran-2-yl)but-3-en-2-ol.
What is the SMILES notation for 1-(oxiran-2-yl)but-3-en-2-ol?
The canonical SMILES for 1-(oxiran-2-yl)but-3-en-2-ol is C=CC(O)CC1CO1.
What is the InChIKey of 1-(oxiran-2-yl)but-3-en-2-ol?
The InChIKey is ICVCCOQKNDCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5(7)3-6-4-8-6/h2,5-7H,1,3-4H2.
What are the key properties of 1-(oxiran-2-yl)but-3-en-2-ol?
1-(oxiran-2-yl)but-3-en-2-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)but-3-en-2-ol is sourced from PubChem (CID 11051612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).