4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol

C8H14O2 — CID 87561862

IUPAC4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol
SMILESC=C[C@H]1OC1CCCCO
InChIInChI=1S/C8H14O2/c1-2-7-8(10-7)5-3-4-6-9/h2,7-9H,1,3-6H2/t7-,8?/m1/s1
InChIKeyGRDUIHNDYYNNMN-GVHYBUMESA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds5

About 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol

4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol (PubChem CID 87561862) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol
PubChem CID87561862
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol
SMILESC=C[C@H]1OC1CCCCO
InChIInChI=1S/C8H14O2/c1-2-7-8(10-7)5-3-4-6-9/h2,7-9H,1,3-6H2/t7-,8?/m1/s1
InChIKeyGRDUIHNDYYNNMN-GVHYBUMESA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol?
The IUPAC name of 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol (CID 87561862) is 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol?
The canonical SMILES for 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol is C=C[C@H]1OC1CCCCO.
What is the InChIKey of 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol?
The InChIKey is GRDUIHNDYYNNMN-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14O2/c1-2-7-8(10-7)5-3-4-6-9/h2,7-9H,1,3-6H2/t7-,8?/m1/s1.
What are the key properties of 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol?
4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol is sourced from PubChem (CID 87561862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).