(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol

C8H14O2 — CID 122394382

IUPAC(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@H](C)O1
InChIInChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m0/s1
InChIKeyPMHCEZBHDDFYSM-FXQIFTODSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds1

About (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol

(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol (PubChem CID 122394382) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol
PubChem CID122394382
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@H](C)O1
InChIInChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m0/s1
InChIKeyPMHCEZBHDDFYSM-FXQIFTODSA-N
XLogP1.10
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 ≤ 51.10
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,4S,6S)-2-ethenyl-6-methyloxan-4-ol?
The IUPAC name of (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol (CID 122394382) is (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol.
What is the SMILES notation for (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol?
The canonical SMILES for (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol is C=C[C@H]1C[C@@H](O)C[C@H](C)O1.
What is the InChIKey of (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol?
The InChIKey is PMHCEZBHDDFYSM-FXQIFTODSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m0/s1.
What are the key properties of (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol?
(2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2-ethenyl-6-methyloxan-4-ol is sourced from PubChem (CID 122394382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).