(2S)-2-prop-2-enoxyoxane

C8H14O2 — CID 7033617

IUPAC(2S)-2-prop-2-enoxyoxane
SMILESC=CCO[C@H]1CCCCO1
InChIInChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyNRAKYXXDEXCVMV-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds3

About (2S)-2-prop-2-enoxyoxane

(2S)-2-prop-2-enoxyoxane (PubChem CID 7033617) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2S)-2-prop-2-enoxyoxane
PubChem CID7033617
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S)-2-prop-2-enoxyoxane
SMILESC=CCO[C@H]1CCCCO1
InChIInChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyNRAKYXXDEXCVMV-MRVPVSSYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enoxyoxane?
The IUPAC name of (2S)-2-prop-2-enoxyoxane (CID 7033617) is (2S)-2-prop-2-enoxyoxane.
What is the SMILES notation for (2S)-2-prop-2-enoxyoxane?
The canonical SMILES for (2S)-2-prop-2-enoxyoxane is C=CCO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-prop-2-enoxyoxane?
The InChIKey is NRAKYXXDEXCVMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/t8-/m1/s1.
What are the key properties of (2S)-2-prop-2-enoxyoxane?
(2S)-2-prop-2-enoxyoxane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enoxyoxane is sourced from PubChem (CID 7033617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).