(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol

C9H18O6 — CID 87557711

IUPAC(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
SMILESC=CC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O6/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyKOOBOEHYNRNKGC-SYHAXYEDSA-N
MW222.24 g/mol
LogP-2.64
Rot. Bonds7

About (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol

(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol (PubChem CID 87557711) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
PubChem CID87557711
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
SMILESC=CC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O6/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyKOOBOEHYNRNKGC-SYHAXYEDSA-N
XLogP-2.64
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193
(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
CID 101232405
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
3-prop-2-enylbutane-1,2,4-triol
CID 13198343
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
(2R,3R,4R,5S)-dec-8-ene-1,2,3,4,5,6-hexol
CID 141460109

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol (CID 87557711) is (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol is C=CC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol?
The InChIKey is KOOBOEHYNRNKGC-SYHAXYEDSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol?
(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol has a molecular weight of 222.24 g/mol, XLogP of -2.64, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 87557711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).