(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol

C16H30O3 — CID 67672657

IUPAC(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol
SMILESCCCC[C@H](C)[C@@H](/C=C\C[C@@H]1OCCC[C@H]1O)OC
InChIInChI=1S/C16H30O3/c1-4-5-8-13(2)15(18-3)10-6-11-16-14(17)9-7-12-19-16/h6,10,13-17H,4-5,7-9,11-12H2,1-3H3/b10-6-/t13-,14+,15+,16-/m0/s1
InChIKeyDIQKDGOXMODNBM-WNQCSWLYSA-N
MW270.41 g/mol
LogP3.31
Rot. Bonds8

About (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol

(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol (PubChem CID 67672657) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol
PubChem CID67672657
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol
SMILESCCCC[C@H](C)[C@@H](/C=C\C[C@@H]1OCCC[C@H]1O)OC
InChIInChI=1S/C16H30O3/c1-4-5-8-13(2)15(18-3)10-6-11-16-14(17)9-7-12-19-16/h6,10,13-17H,4-5,7-9,11-12H2,1-3H3/b10-6-/t13-,14+,15+,16-/m0/s1
InChIKeyDIQKDGOXMODNBM-WNQCSWLYSA-N
XLogP3.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol?
The IUPAC name of (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol (CID 67672657) is (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol?
The canonical SMILES for (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol is CCCC[C@H](C)[C@@H](/C=C\C[C@@H]1OCCC[C@H]1O)OC.
What is the InChIKey of (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol?
The InChIKey is DIQKDGOXMODNBM-WNQCSWLYSA-N. The full InChI is InChI=1S/C16H30O3/c1-4-5-8-13(2)15(18-3)10-6-11-16-14(17)9-7-12-19-16/h6,10,13-17H,4-5,7-9,11-12H2,1-3H3/b10-6-/t13-,14+,15+,16-/m0/s1.
What are the key properties of (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol?
(2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol has a molecular weight of 270.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(Z,4S,5S)-4-methoxy-5-methylnon-2-enyl]oxan-3-ol is sourced from PubChem (CID 67672657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).