(2R)-but-3-en-2-ol

C4H8O — CID 6995534

IUPAC(2R)-but-3-en-2-ol
SMILESC=C[C@@H](C)O
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1
InChIKeyMKUWVMRNQOOSAT-SCSAIBSYSA-N
MW72.11 g/mol
LogP0.55
Rot. Bonds1

About (2R)-but-3-en-2-ol

(2R)-but-3-en-2-ol (PubChem CID 6995534) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is (2R)-but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-but-3-en-2-ol
PubChem CID6995534
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name(2R)-but-3-en-2-ol
SMILESC=C[C@@H](C)O
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1
InChIKeyMKUWVMRNQOOSAT-SCSAIBSYSA-N
XLogP0.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-but-3-en-2-ol?
The IUPAC name of (2R)-but-3-en-2-ol (CID 6995534) is (2R)-but-3-en-2-ol.
What is the SMILES notation for (2R)-but-3-en-2-ol?
The canonical SMILES for (2R)-but-3-en-2-ol is C=C[C@@H](C)O.
What is the InChIKey of (2R)-but-3-en-2-ol?
The InChIKey is MKUWVMRNQOOSAT-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1.
What are the key properties of (2R)-but-3-en-2-ol?
(2R)-but-3-en-2-ol has a molecular weight of 72.11 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-but-3-en-2-ol is sourced from PubChem (CID 6995534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).