(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol

C10H20O3 — CID 10856240

IUPAC(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
SMILESC=C[C@@](C)(O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3/t8-,10-/m1/s1
InChIKeyCNYFGLAROLNGDG-PSASIEDQSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds5

About (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol

(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol (PubChem CID 10856240) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol.

Molecular Properties

Compound Name(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
PubChem CID10856240
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
SMILESC=C[C@@](C)(O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3/t8-,10-/m1/s1
InChIKeyCNYFGLAROLNGDG-PSASIEDQSA-N
XLogP0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
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 (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol?
The IUPAC name of (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol (CID 10856240) is (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol.
What is the SMILES notation for (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol?
The canonical SMILES for (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol is C=C[C@@](C)(O)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol?
The InChIKey is CNYFGLAROLNGDG-PSASIEDQSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3/t8-,10-/m1/s1.
What are the key properties of (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol?
(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol has a molecular weight of 188.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol is sourced from PubChem (CID 10856240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).