6-methoxy-6-methylheptane-1,2,4-triol

C9H20O4 — CID 19868348

IUPAC6-methoxy-6-methylheptane-1,2,4-triol
SMILESCOC(C)(C)CC(O)CC(O)CO
InChIInChI=1S/C9H20O4/c1-9(2,13-3)5-7(11)4-8(12)6-10/h7-8,10-12H,4-6H2,1-3H3
InChIKeyFZGDLQVVTBYOPE-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.09
Rot. Bonds6

About 6-methoxy-6-methylheptane-1,2,4-triol

6-methoxy-6-methylheptane-1,2,4-triol (PubChem CID 19868348) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 6-methoxy-6-methylheptane-1,2,4-triol.

Molecular Properties

Compound Name6-methoxy-6-methylheptane-1,2,4-triol
PubChem CID19868348
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name6-methoxy-6-methylheptane-1,2,4-triol
SMILESCOC(C)(C)CC(O)CC(O)CO
InChIInChI=1S/C9H20O4/c1-9(2,13-3)5-7(11)4-8(12)6-10/h7-8,10-12H,4-6H2,1-3H3
InChIKeyFZGDLQVVTBYOPE-UHFFFAOYSA-N
XLogP-0.09
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylheptane-1,2,4-triol?
The IUPAC name of 6-methoxy-6-methylheptane-1,2,4-triol (CID 19868348) is 6-methoxy-6-methylheptane-1,2,4-triol.
What is the SMILES notation for 6-methoxy-6-methylheptane-1,2,4-triol?
The canonical SMILES for 6-methoxy-6-methylheptane-1,2,4-triol is COC(C)(C)CC(O)CC(O)CO.
What is the InChIKey of 6-methoxy-6-methylheptane-1,2,4-triol?
The InChIKey is FZGDLQVVTBYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2,13-3)5-7(11)4-8(12)6-10/h7-8,10-12H,4-6H2,1-3H3.
What are the key properties of 6-methoxy-6-methylheptane-1,2,4-triol?
6-methoxy-6-methylheptane-1,2,4-triol has a molecular weight of 192.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylheptane-1,2,4-triol is sourced from PubChem (CID 19868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).