(3R)-3-prop-2-enyloxane

C8H14O — CID 58011517

IUPAC(3R)-3-prop-2-enyloxane
SMILESC=CC[C@H]1CCCOC1
InChIInChI=1S/C8H14O/c1-2-4-8-5-3-6-9-7-8/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeyXYZFRKFAOFZICM-QMMMGPOBSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About (3R)-3-prop-2-enyloxane

(3R)-3-prop-2-enyloxane (PubChem CID 58011517) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3R)-3-prop-2-enyloxane.

Molecular Properties

Compound Name(3R)-3-prop-2-enyloxane
PubChem CID58011517
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3R)-3-prop-2-enyloxane
SMILESC=CC[C@H]1CCCOC1
InChIInChI=1S/C8H14O/c1-2-4-8-5-3-6-9-7-8/h2,8H,1,3-7H2/t8-/m0/s1
InChIKeyXYZFRKFAOFZICM-QMMMGPOBSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-3-prop-2-enyloxane?
The IUPAC name of (3R)-3-prop-2-enyloxane (CID 58011517) is (3R)-3-prop-2-enyloxane.
What is the SMILES notation for (3R)-3-prop-2-enyloxane?
The canonical SMILES for (3R)-3-prop-2-enyloxane is C=CC[C@H]1CCCOC1.
What is the InChIKey of (3R)-3-prop-2-enyloxane?
The InChIKey is XYZFRKFAOFZICM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-2-4-8-5-3-6-9-7-8/h2,8H,1,3-7H2/t8-/m0/s1.
What are the key properties of (3R)-3-prop-2-enyloxane?
(3R)-3-prop-2-enyloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enyloxane is sourced from PubChem (CID 58011517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).