(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane

C9H16O2 — CID 145223699

IUPAC(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane
SMILESC=C[C@@H]1COC[C@H](C)[C@H]1OC
InChIInChI=1S/C9H16O2/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+/m0/s1
InChIKeyCVPUXCJQEWWZAI-DJLDLDEBSA-N
MW156.22 g/mol
LogP1.47
Rot. Bonds2

About (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane

(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane (PubChem CID 145223699) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane.

Molecular Properties

Compound Name(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane
PubChem CID145223699
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane
SMILESC=C[C@@H]1COC[C@H](C)[C@H]1OC
InChIInChI=1S/C9H16O2/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+/m0/s1
InChIKeyCVPUXCJQEWWZAI-DJLDLDEBSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.47
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 (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane?
The IUPAC name of (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane (CID 145223699) is (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane.
What is the SMILES notation for (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane?
The canonical SMILES for (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane is C=C[C@@H]1COC[C@H](C)[C@H]1OC.
What is the InChIKey of (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane?
The InChIKey is CVPUXCJQEWWZAI-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-6-11-5-7(2)9(8)10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane?
(3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane has a molecular weight of 156.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-ethenyl-4-methoxy-5-methyloxane is sourced from PubChem (CID 145223699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).