(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol

C10H20O3 — CID 10607657

IUPAC(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
SMILESC/C(=C\CO)[C@H](O)CCC(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(5-7-11)9(12)4-6-10(2,3)13/h5,9,11-13H,4,6-7H2,1-3H3/b8-5+/t9-/m1/s1
InChIKeyHUGUOUHNCAOWKL-WHXYTISESA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds5

About (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol

(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol (PubChem CID 10607657) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol.

Molecular Properties

Compound Name(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
PubChem CID10607657
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
SMILESC/C(=C\CO)[C@H](O)CCC(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(5-7-11)9(12)4-6-10(2,3)13/h5,9,11-13H,4,6-7H2,1-3H3/b8-5+/t9-/m1/s1
InChIKeyHUGUOUHNCAOWKL-WHXYTISESA-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 (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol?
The IUPAC name of (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol (CID 10607657) is (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol.
What is the SMILES notation for (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol?
The canonical SMILES for (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol is C/C(=C\CO)[C@H](O)CCC(C)(C)O.
What is the InChIKey of (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol?
The InChIKey is HUGUOUHNCAOWKL-WHXYTISESA-N. The full InChI is InChI=1S/C10H20O3/c1-8(5-7-11)9(12)4-6-10(2,3)13/h5,9,11-13H,4,6-7H2,1-3H3/b8-5+/t9-/m1/s1.
What are the key properties of (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol?
(E,4R)-3,7-dimethyloct-2-ene-1,4,7-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 (E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol is sourced from PubChem (CID 10607657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).