8-methylnonane-3,4,5,6-tetrol

C10H22O4 — CID 88909679

IUPAC8-methylnonane-3,4,5,6-tetrol
SMILESCCC(O)C(O)C(O)C(O)CC(C)C
InChIInChI=1S/C10H22O4/c1-4-7(11)9(13)10(14)8(12)5-6(2)3/h6-14H,4-5H2,1-3H3
InChIKeyVXVQWBOZKUXMKU-UHFFFAOYSA-N
MW206.28 g/mol
LogP-0.11
Rot. Bonds6

About 8-methylnonane-3,4,5,6-tetrol

8-methylnonane-3,4,5,6-tetrol (PubChem CID 88909679) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 8-methylnonane-3,4,5,6-tetrol.

Molecular Properties

Compound Name8-methylnonane-3,4,5,6-tetrol
PubChem CID88909679
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name8-methylnonane-3,4,5,6-tetrol
SMILESCCC(O)C(O)C(O)C(O)CC(C)C
InChIInChI=1S/C10H22O4/c1-4-7(11)9(13)10(14)8(12)5-6(2)3/h6-14H,4-5H2,1-3H3
InChIKeyVXVQWBOZKUXMKU-UHFFFAOYSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylnonane-3,4,5,6-tetrol?
The IUPAC name of 8-methylnonane-3,4,5,6-tetrol (CID 88909679) is 8-methylnonane-3,4,5,6-tetrol.
What is the SMILES notation for 8-methylnonane-3,4,5,6-tetrol?
The canonical SMILES for 8-methylnonane-3,4,5,6-tetrol is CCC(O)C(O)C(O)C(O)CC(C)C.
What is the InChIKey of 8-methylnonane-3,4,5,6-tetrol?
The InChIKey is VXVQWBOZKUXMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-4-7(11)9(13)10(14)8(12)5-6(2)3/h6-14H,4-5H2,1-3H3.
What are the key properties of 8-methylnonane-3,4,5,6-tetrol?
8-methylnonane-3,4,5,6-tetrol has a molecular weight of 206.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonane-3,4,5,6-tetrol is sourced from PubChem (CID 88909679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).