(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol

C10H20O3 — CID 10976249

IUPAC(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
SMILESCC(C)=CCC[C@@](C)(O)[C@H](O)CO
InChIInChI=1S/C10H20O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,9,11-13H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyAAUZPDAUBFXASQ-NXEZZACHSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds5

About (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol

(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol (PubChem CID 10976249) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
PubChem CID10976249
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
SMILESCC(C)=CCC[C@@](C)(O)[C@H](O)CO
InChIInChI=1S/C10H20O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,9,11-13H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyAAUZPDAUBFXASQ-NXEZZACHSA-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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Related Compounds

(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
3,7-dimethyl-1-(N-methylanilino)oct-6-ene-2,3-diol
CID 19928721
(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
CID 101223934
(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
3,7-dimethyl-1-(2-methylanilino)oct-6-ene-2,3-diol
CID 67866608
(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol
CID 15311190
(2E,6E,10S,11S,15S,19S,23R,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol
CID 124825354
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol
CID 162968416
(2S,3R)-2-(benzylamino)-3,7-dimethyloct-6-ene-1,3-diol;hydrochloride
CID 24858586
3-[(2S,3R)-2,3-dihydroxy-3,7-dimethyloct-6-enyl]-4-hydroxy-5-(3-methylbut-2-enyl)benzoic acid
CID 26183455

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol?
The IUPAC name of (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol (CID 10976249) is (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol.
What is the SMILES notation for (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol?
The canonical SMILES for (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol is CC(C)=CCC[C@@](C)(O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol?
The InChIKey is AAUZPDAUBFXASQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,9,11-13H,4,6-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol?
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-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 (2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol is sourced from PubChem (CID 10976249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).