(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol

C11H20O2 — CID 122394385

IUPAC(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
SMILESC=C[C@@H]1C[C@@H](O)C[C@H](CC(C)C)O1
InChIInChI=1S/C11H20O2/c1-4-10-6-9(12)7-11(13-10)5-8(2)3/h4,8-12H,1,5-7H2,2-3H3/t9-,10-,11+/m1/s1
InChIKeyPECIVHSKLVYFKJ-MXWKQRLJSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol

(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol (PubChem CID 122394385) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
PubChem CID122394385
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
SMILESC=C[C@@H]1C[C@@H](O)C[C@H](CC(C)C)O1
InChIInChI=1S/C11H20O2/c1-4-10-6-9(12)7-11(13-10)5-8(2)3/h4,8-12H,1,5-7H2,2-3H3/t9-,10-,11+/m1/s1
InChIKeyPECIVHSKLVYFKJ-MXWKQRLJSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol?
The IUPAC name of (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol (CID 122394385) is (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol?
The canonical SMILES for (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol is C=C[C@@H]1C[C@@H](O)C[C@H](CC(C)C)O1.
What is the InChIKey of (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol?
The InChIKey is PECIVHSKLVYFKJ-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10-6-9(12)7-11(13-10)5-8(2)3/h4,8-12H,1,5-7H2,2-3H3/t9-,10-,11+/m1/s1.
What are the key properties of (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol?
(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol is sourced from PubChem (CID 122394385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).