(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol

C10H20O4 — CID 10608259

IUPAC(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol
SMILESC/C(=C\CCC(C)(O)C(O)CO)CO
InChIInChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+
InChIKeyWLZNCAXWAFHRLP-XBXARRHUSA-N
MW204.27 g/mol
LogP-0.19
Rot. Bonds6

About (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol

(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol (PubChem CID 10608259) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol.

Molecular Properties

Compound Name(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol
PubChem CID10608259
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol
SMILESC/C(=C\CCC(C)(O)C(O)CO)CO
InChIInChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+
InChIKeyWLZNCAXWAFHRLP-XBXARRHUSA-N
XLogP-0.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol?
The IUPAC name of (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol (CID 10608259) is (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol.
What is the SMILES notation for (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol?
The canonical SMILES for (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol is C/C(=C\CCC(C)(O)C(O)CO)CO.
What is the InChIKey of (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol?
The InChIKey is WLZNCAXWAFHRLP-XBXARRHUSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+.
What are the key properties of (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol?
(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol has a molecular weight of 204.27 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol is sourced from PubChem (CID 10608259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).