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

C8H14O2 — CID 11275059

IUPAC(2R)-2-but-3-enoxybut-3-en-1-ol
SMILESC=CCCO[C@H](C=C)CO
InChIInChI=1S/C8H14O2/c1-3-5-6-10-8(4-2)7-9/h3-4,8-9H,1-2,5-7H2/t8-/m1/s1
InChIKeyGMEFZTGGGKZMHL-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds6

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

(2R)-2-but-3-enoxybut-3-en-1-ol (PubChem CID 11275059) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R)-2-but-3-enoxybut-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-but-3-enoxybut-3-en-1-ol
PubChem CID11275059
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R)-2-but-3-enoxybut-3-en-1-ol
SMILESC=CCCO[C@H](C=C)CO
InChIInChI=1S/C8H14O2/c1-3-5-6-10-8(4-2)7-9/h3-4,8-9H,1-2,5-7H2/t8-/m1/s1
InChIKeyGMEFZTGGGKZMHL-MRVPVSSYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
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)-2-but-3-enoxybut-3-en-1-ol?
The IUPAC name of (2R)-2-but-3-enoxybut-3-en-1-ol (CID 11275059) is (2R)-2-but-3-enoxybut-3-en-1-ol.
What is the SMILES notation for (2R)-2-but-3-enoxybut-3-en-1-ol?
The canonical SMILES for (2R)-2-but-3-enoxybut-3-en-1-ol is C=CCCO[C@H](C=C)CO.
What is the InChIKey of (2R)-2-but-3-enoxybut-3-en-1-ol?
The InChIKey is GMEFZTGGGKZMHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-6-10-8(4-2)7-9/h3-4,8-9H,1-2,5-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-but-3-enoxybut-3-en-1-ol?
(2R)-2-but-3-enoxybut-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-3-enoxybut-3-en-1-ol is sourced from PubChem (CID 11275059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).