[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol

C9H16O2 — CID 118336971

IUPAC[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol
SMILESC=C[C@H]1CC[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C9H16O2/c1-3-8-5-4-7(2)9(6-10)11-8/h3,7-10H,1,4-6H2,2H3/t7-,8-,9+/m0/s1
InChIKeyYRWMFLFMBANEPB-XHNCKOQMSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol

[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol (PubChem CID 118336971) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol
PubChem CID118336971
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol
SMILESC=C[C@H]1CC[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C9H16O2/c1-3-8-5-4-7(2)9(6-10)11-8/h3,7-10H,1,4-6H2,2H3/t7-,8-,9+/m0/s1
InChIKeyYRWMFLFMBANEPB-XHNCKOQMSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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 [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol?
The IUPAC name of [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol (CID 118336971) is [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol is C=C[C@H]1CC[C@H](C)[C@@H](CO)O1.
What is the InChIKey of [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol?
The InChIKey is YRWMFLFMBANEPB-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8-5-4-7(2)9(6-10)11-8/h3,7-10H,1,4-6H2,2H3/t7-,8-,9+/m0/s1.
What are the key properties of [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol?
[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol is sourced from PubChem (CID 118336971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).