methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one

C8H18O5 — CID 162168803

IUPACmethane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one
SMILESC.CC(O)C(C)(O)C(O)C(=O)CO
InChIInChI=1S/C7H14O5.CH4/c1-4(9)7(2,12)6(11)5(10)3-8;/h4,6,8-9,11-12H,3H2,1-2H3;1H4
InChIKeyZNMUSNQOQZWDDA-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.32
Rot. Bonds4

About methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one

methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one (PubChem CID 162168803) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one.

Molecular Properties

Compound Namemethane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one
PubChem CID162168803
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Namemethane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one
SMILESC.CC(O)C(C)(O)C(O)C(=O)CO
InChIInChI=1S/C7H14O5.CH4/c1-4(9)7(2,12)6(11)5(10)3-8;/h4,6,8-9,11-12H,3H2,1-2H3;1H4
InChIKeyZNMUSNQOQZWDDA-UHFFFAOYSA-N
XLogP-1.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one?
The IUPAC name of methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one (CID 162168803) is methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one.
What is the SMILES notation for methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one?
The canonical SMILES for methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one is C.CC(O)C(C)(O)C(O)C(=O)CO.
What is the InChIKey of methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one?
The InChIKey is ZNMUSNQOQZWDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5.CH4/c1-4(9)7(2,12)6(11)5(10)3-8;/h4,6,8-9,11-12H,3H2,1-2H3;1H4.
What are the key properties of methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one?
methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one has a molecular weight of 194.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,4,5-tetrahydroxy-4-methylhexan-2-one is sourced from PubChem (CID 162168803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).