(2R)-2-(pent-1-en-2-yloxymethyl)oxirane

C8H14O2 — CID 126495751

IUPAC(2R)-2-(pent-1-en-2-yloxymethyl)oxirane
SMILESC=C(CCC)OC[C@H]1CO1
InChIInChI=1S/C8H14O2/c1-3-4-7(2)9-5-8-6-10-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyPCXPIEJZHVFTLS-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-(pent-1-en-2-yloxymethyl)oxirane

(2R)-2-(pent-1-en-2-yloxymethyl)oxirane (PubChem CID 126495751) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R)-2-(pent-1-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(pent-1-en-2-yloxymethyl)oxirane
PubChem CID126495751
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R)-2-(pent-1-en-2-yloxymethyl)oxirane
SMILESC=C(CCC)OC[C@H]1CO1
InChIInChI=1S/C8H14O2/c1-3-4-7(2)9-5-8-6-10-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyPCXPIEJZHVFTLS-QMMMGPOBSA-N
XLogP1.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pent-1-en-2-yloxymethyl)oxirane?
The IUPAC name of (2R)-2-(pent-1-en-2-yloxymethyl)oxirane (CID 126495751) is (2R)-2-(pent-1-en-2-yloxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(pent-1-en-2-yloxymethyl)oxirane?
The canonical SMILES for (2R)-2-(pent-1-en-2-yloxymethyl)oxirane is C=C(CCC)OC[C@H]1CO1.
What is the InChIKey of (2R)-2-(pent-1-en-2-yloxymethyl)oxirane?
The InChIKey is PCXPIEJZHVFTLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-7(2)9-5-8-6-10-8/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(pent-1-en-2-yloxymethyl)oxirane?
(2R)-2-(pent-1-en-2-yloxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pent-1-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 126495751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).