2,4,6-trimethylhept-6-ene-1,3,5-triol

C10H20O3 — CID 75149242

IUPAC2,4,6-trimethylhept-6-ene-1,3,5-triol
SMILESC=C(C)C(O)C(C)C(O)C(C)CO
InChIInChI=1S/C10H20O3/c1-6(2)9(12)8(4)10(13)7(3)5-11/h7-13H,1,5H2,2-4H3
InChIKeyRFORXBKAOTTXCY-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.55
Rot. Bonds5

About 2,4,6-trimethylhept-6-ene-1,3,5-triol

2,4,6-trimethylhept-6-ene-1,3,5-triol (PubChem CID 75149242) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4,6-trimethylhept-6-ene-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-trimethylhept-6-ene-1,3,5-triol
PubChem CID75149242
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,4,6-trimethylhept-6-ene-1,3,5-triol
SMILESC=C(C)C(O)C(C)C(O)C(C)CO
InChIInChI=1S/C10H20O3/c1-6(2)9(12)8(4)10(13)7(3)5-11/h7-13H,1,5H2,2-4H3
InChIKeyRFORXBKAOTTXCY-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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 2,4,6-trimethylhept-6-ene-1,3,5-triol?
The IUPAC name of 2,4,6-trimethylhept-6-ene-1,3,5-triol (CID 75149242) is 2,4,6-trimethylhept-6-ene-1,3,5-triol.
What is the SMILES notation for 2,4,6-trimethylhept-6-ene-1,3,5-triol?
The canonical SMILES for 2,4,6-trimethylhept-6-ene-1,3,5-triol is C=C(C)C(O)C(C)C(O)C(C)CO.
What is the InChIKey of 2,4,6-trimethylhept-6-ene-1,3,5-triol?
The InChIKey is RFORXBKAOTTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6(2)9(12)8(4)10(13)7(3)5-11/h7-13H,1,5H2,2-4H3.
What are the key properties of 2,4,6-trimethylhept-6-ene-1,3,5-triol?
2,4,6-trimethylhept-6-ene-1,3,5-triol has a molecular weight of 188.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylhept-6-ene-1,3,5-triol is sourced from PubChem (CID 75149242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).