(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol

C8H14O2 — CID 101412810

IUPAC(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol
SMILESC=C[C@H]1CO[C@H](C)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-3-7-5-10-6(2)4-8(7)9/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyLOXXGEMFYBFUJV-GJMOJQLCSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds1

About (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol

(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol (PubChem CID 101412810) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol
PubChem CID101412810
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol
SMILESC=C[C@H]1CO[C@H](C)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-3-7-5-10-6(2)4-8(7)9/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyLOXXGEMFYBFUJV-GJMOJQLCSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
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 (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol?
The IUPAC name of (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol (CID 101412810) is (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol.
What is the SMILES notation for (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol?
The canonical SMILES for (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol is C=C[C@H]1CO[C@H](C)C[C@H]1O.
What is the InChIKey of (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol?
The InChIKey is LOXXGEMFYBFUJV-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-5-10-6(2)4-8(7)9/h3,6-9H,1,4-5H2,2H3/t6-,7+,8-/m1/s1.
What are the key properties of (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol?
(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol is sourced from PubChem (CID 101412810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).