4-methylpentane-1,2,3,3-tetrol

C6H14O4 — CID 139934593

IUPAC4-methylpentane-1,2,3,3-tetrol
SMILESCC(C)C(O)(O)C(O)CO
InChIInChI=1S/C6H14O4/c1-4(2)6(9,10)5(8)3-7/h4-5,7-10H,3H2,1-2H3
InChIKeyIYWGKAMLWZXBSP-UHFFFAOYSA-N
MW150.17 g/mol
LogP-1.32
Rot. Bonds3

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

4-methylpentane-1,2,3,3-tetrol (PubChem CID 139934593) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 4-methylpentane-1,2,3,3-tetrol.

Molecular Properties

Compound Name4-methylpentane-1,2,3,3-tetrol
PubChem CID139934593
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4-methylpentane-1,2,3,3-tetrol
SMILESCC(C)C(O)(O)C(O)CO
InChIInChI=1S/C6H14O4/c1-4(2)6(9,10)5(8)3-7/h4-5,7-10H,3H2,1-2H3
InChIKeyIYWGKAMLWZXBSP-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 4-methylpentane-1,2,3,3-tetrol?
The IUPAC name of 4-methylpentane-1,2,3,3-tetrol (CID 139934593) is 4-methylpentane-1,2,3,3-tetrol.
What is the SMILES notation for 4-methylpentane-1,2,3,3-tetrol?
The canonical SMILES for 4-methylpentane-1,2,3,3-tetrol is CC(C)C(O)(O)C(O)CO.
What is the InChIKey of 4-methylpentane-1,2,3,3-tetrol?
The InChIKey is IYWGKAMLWZXBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-4(2)6(9,10)5(8)3-7/h4-5,7-10H,3H2,1-2H3.
What are the key properties of 4-methylpentane-1,2,3,3-tetrol?
4-methylpentane-1,2,3,3-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 4-methylpentane-1,2,3,3-tetrol is sourced from PubChem (CID 139934593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).