3,3-dimethylbutane-1,1,2,4-tetrol

C6H14O4 — CID 123962336

IUPAC3,3-dimethylbutane-1,1,2,4-tetrol
SMILESCC(C)(CO)C(O)C(O)O
InChIInChI=1S/C6H14O4/c1-6(2,3-7)4(8)5(9)10/h4-5,7-10H,3H2,1-2H3
InChIKeyIVUIKDCZSLQRCT-UHFFFAOYSA-N
MW150.17 g/mol
LogP-1.32
Rot. Bonds3

About 3,3-dimethylbutane-1,1,2,4-tetrol

3,3-dimethylbutane-1,1,2,4-tetrol (PubChem CID 123962336) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-dimethylbutane-1,1,2,4-tetrol.

Molecular Properties

Compound Name3,3-dimethylbutane-1,1,2,4-tetrol
PubChem CID123962336
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-dimethylbutane-1,1,2,4-tetrol
SMILESCC(C)(CO)C(O)C(O)O
InChIInChI=1S/C6H14O4/c1-6(2,3-7)4(8)5(9)10/h4-5,7-10H,3H2,1-2H3
InChIKeyIVUIKDCZSLQRCT-UHFFFAOYSA-N
XLogP-1.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3,3-dimethylbutane-1,1,2,4-tetrol?
The IUPAC name of 3,3-dimethylbutane-1,1,2,4-tetrol (CID 123962336) is 3,3-dimethylbutane-1,1,2,4-tetrol.
What is the SMILES notation for 3,3-dimethylbutane-1,1,2,4-tetrol?
The canonical SMILES for 3,3-dimethylbutane-1,1,2,4-tetrol is CC(C)(CO)C(O)C(O)O.
What is the InChIKey of 3,3-dimethylbutane-1,1,2,4-tetrol?
The InChIKey is IVUIKDCZSLQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-6(2,3-7)4(8)5(9)10/h4-5,7-10H,3H2,1-2H3.
What are the key properties of 3,3-dimethylbutane-1,1,2,4-tetrol?
3,3-dimethylbutane-1,1,2,4-tetrol has a molecular weight of 150.17 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1,1,2,4-tetrol is sourced from PubChem (CID 123962336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).