2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol

C12H26O6 — CID 175737835

IUPAC2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol
SMILESCC(C)(CC(O)(O)O)C(C)(C)C(C)(C)C(O)(O)O
InChIInChI=1S/C12H26O6/c1-8(2,7-11(13,14)15)9(3,4)10(5,6)12(16,17)18/h13-18H,7H2,1-6H3
InChIKeyJSVPNOFZOZUVSS-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.28
Rot. Bonds5

About 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol

2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol (PubChem CID 175737835) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol
PubChem CID175737835
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol
SMILESCC(C)(CC(O)(O)O)C(C)(C)C(C)(C)C(O)(O)O
InChIInChI=1S/C12H26O6/c1-8(2,7-11(13,14)15)9(3,4)10(5,6)12(16,17)18/h13-18H,7H2,1-6H3
InChIKeyJSVPNOFZOZUVSS-UHFFFAOYSA-N
XLogP-0.28
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol?
The IUPAC name of 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol (CID 175737835) is 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol.
What is the SMILES notation for 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol?
The canonical SMILES for 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol is CC(C)(CC(O)(O)O)C(C)(C)C(C)(C)C(O)(O)O.
What is the InChIKey of 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol?
The InChIKey is JSVPNOFZOZUVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-8(2,7-11(13,14)15)9(3,4)10(5,6)12(16,17)18/h13-18H,7H2,1-6H3.
What are the key properties of 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol?
2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol has a molecular weight of 266.33 g/mol, XLogP of -0.28, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethylhexane-1,1,1,6,6,6-hexol is sourced from PubChem (CID 175737835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).