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

C10H20O4 — CID 15885844

IUPAC(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
SMILESC/C(=C\C[C@H](O)C(C)(C)O)[C@H](O)CO
InChIInChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+/t8-,9+/m1/s1
InChIKeyQJGNMNVVLILWRD-CNTVWIKJSA-N
MW204.27 g/mol
LogP-0.19
Rot. Bonds5

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

(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol (PubChem CID 15885844) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol.

Molecular Properties

Compound Name(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
PubChem CID15885844
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
SMILESC/C(=C\C[C@H](O)C(C)(C)O)[C@H](O)CO
InChIInChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+/t8-,9+/m1/s1
InChIKeyQJGNMNVVLILWRD-CNTVWIKJSA-N
XLogP-0.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol?
The IUPAC name of (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol (CID 15885844) is (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol.
What is the SMILES notation for (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol?
The canonical SMILES for (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol is C/C(=C\C[C@H](O)C(C)(C)O)[C@H](O)CO.
What is the InChIKey of (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol?
The InChIKey is QJGNMNVVLILWRD-CNTVWIKJSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h4,8-9,11-14H,5-6H2,1-3H3/b7-4+/t8-,9+/m1/s1.
What are the key properties of (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol?
(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol has a molecular weight of 204.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol is sourced from PubChem (CID 15885844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).