(2R)-1-prop-2-enoxybut-3-en-2-ol

C7H12O2 — CID 146627789

IUPAC(2R)-1-prop-2-enoxybut-3-en-2-ol
SMILESC=CCOC[C@H](O)C=C
InChIInChI=1S/C7H12O2/c1-3-5-9-6-7(8)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1
InChIKeyHAYWTRUNHVDULK-SSDOTTSWSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds5

About (2R)-1-prop-2-enoxybut-3-en-2-ol

(2R)-1-prop-2-enoxybut-3-en-2-ol (PubChem CID 146627789) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R)-1-prop-2-enoxybut-3-en-2-ol.

Molecular Properties

Compound Name(2R)-1-prop-2-enoxybut-3-en-2-ol
PubChem CID146627789
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2R)-1-prop-2-enoxybut-3-en-2-ol
SMILESC=CCOC[C@H](O)C=C
InChIInChI=1S/C7H12O2/c1-3-5-9-6-7(8)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1
InChIKeyHAYWTRUNHVDULK-SSDOTTSWSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-prop-2-enoxybut-3-en-2-ol?
The IUPAC name of (2R)-1-prop-2-enoxybut-3-en-2-ol (CID 146627789) is (2R)-1-prop-2-enoxybut-3-en-2-ol.
What is the SMILES notation for (2R)-1-prop-2-enoxybut-3-en-2-ol?
The canonical SMILES for (2R)-1-prop-2-enoxybut-3-en-2-ol is C=CCOC[C@H](O)C=C.
What is the InChIKey of (2R)-1-prop-2-enoxybut-3-en-2-ol?
The InChIKey is HAYWTRUNHVDULK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-5-9-6-7(8)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of (2R)-1-prop-2-enoxybut-3-en-2-ol?
(2R)-1-prop-2-enoxybut-3-en-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-prop-2-enoxybut-3-en-2-ol is sourced from PubChem (CID 146627789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).