4-methyloctane-3,4,5,6-tetrol

C9H20O4 — CID 135222471

IUPAC4-methyloctane-3,4,5,6-tetrol
SMILESCCC(O)C(O)C(C)(O)C(O)CC
InChIInChI=1S/C9H20O4/c1-4-6(10)8(12)9(3,13)7(11)5-2/h6-8,10-13H,4-5H2,1-3H3
InChIKeyRTDGKFIIEVATLE-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.36
Rot. Bonds5

About 4-methyloctane-3,4,5,6-tetrol

4-methyloctane-3,4,5,6-tetrol (PubChem CID 135222471) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-methyloctane-3,4,5,6-tetrol.

Molecular Properties

Compound Name4-methyloctane-3,4,5,6-tetrol
PubChem CID135222471
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4-methyloctane-3,4,5,6-tetrol
SMILESCCC(O)C(O)C(C)(O)C(O)CC
InChIInChI=1S/C9H20O4/c1-4-6(10)8(12)9(3,13)7(11)5-2/h6-8,10-13H,4-5H2,1-3H3
InChIKeyRTDGKFIIEVATLE-UHFFFAOYSA-N
XLogP-0.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyloctane-3,4,5,6-tetrol?
The IUPAC name of 4-methyloctane-3,4,5,6-tetrol (CID 135222471) is 4-methyloctane-3,4,5,6-tetrol.
What is the SMILES notation for 4-methyloctane-3,4,5,6-tetrol?
The canonical SMILES for 4-methyloctane-3,4,5,6-tetrol is CCC(O)C(O)C(C)(O)C(O)CC.
What is the InChIKey of 4-methyloctane-3,4,5,6-tetrol?
The InChIKey is RTDGKFIIEVATLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-4-6(10)8(12)9(3,13)7(11)5-2/h6-8,10-13H,4-5H2,1-3H3.
What are the key properties of 4-methyloctane-3,4,5,6-tetrol?
4-methyloctane-3,4,5,6-tetrol has a molecular weight of 192.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloctane-3,4,5,6-tetrol is sourced from PubChem (CID 135222471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).