(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol

C9H16O2 — CID 46909609

IUPAC(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol
SMILESC=CC[C@H]1O[C@H](C)CC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-4-9-8(10)6-5-7(2)11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m1/s1
InChIKeyIHYPMGWHINPIFX-HRDYMLBCSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol

(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol (PubChem CID 46909609) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol
PubChem CID46909609
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol
SMILESC=CC[C@H]1O[C@H](C)CC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-4-9-8(10)6-5-7(2)11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m1/s1
InChIKeyIHYPMGWHINPIFX-HRDYMLBCSA-N
XLogP1.49
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 ≤ 51.49
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,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol?
The IUPAC name of (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol (CID 46909609) is (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol?
The canonical SMILES for (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol is C=CC[C@H]1O[C@H](C)CC[C@@H]1O.
What is the InChIKey of (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol?
The InChIKey is IHYPMGWHINPIFX-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-9-8(10)6-5-7(2)11-9/h3,7-10H,1,4-6H2,2H3/t7-,8+,9-/m1/s1.
What are the key properties of (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol?
(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol is sourced from PubChem (CID 46909609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).