methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one

C14H30O6 — CID 159896978

IUPACmethanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one
SMILESCO.CO.C[C@@H]1CCCC(=O)O1.C[C@@H]1CCCC(O)O1
InChIInChI=1S/C6H12O2.C6H10O2.2CH4O/c2*1-5-3-2-4-6(7)8-5;2*1-2/h5-7H,2-4H2,1H3;5H,2-4H2,1H3;2*2H,1H3/t5-,6?;5-;;/m11../s1
InChIKeyNVLUMOQTDUZNOW-JYONGFCYSA-N
MW294.39 g/mol
LogP1.21
Rot. Bonds

About methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one

methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one (PubChem CID 159896978) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one.

Molecular Properties

Compound Namemethanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one
PubChem CID159896978
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Namemethanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one
SMILESCO.CO.C[C@@H]1CCCC(=O)O1.C[C@@H]1CCCC(O)O1
InChIInChI=1S/C6H12O2.C6H10O2.2CH4O/c2*1-5-3-2-4-6(7)8-5;2*1-2/h5-7H,2-4H2,1H3;5H,2-4H2,1H3;2*2H,1H3/t5-,6?;5-;;/m11../s1
InChIKeyNVLUMOQTDUZNOW-JYONGFCYSA-N
XLogP1.21
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one?
The IUPAC name of methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one (CID 159896978) is methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one.
What is the SMILES notation for methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one?
The canonical SMILES for methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one is CO.CO.C[C@@H]1CCCC(=O)O1.C[C@@H]1CCCC(O)O1.
What is the InChIKey of methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one?
The InChIKey is NVLUMOQTDUZNOW-JYONGFCYSA-N. The full InChI is InChI=1S/C6H12O2.C6H10O2.2CH4O/c2*1-5-3-2-4-6(7)8-5;2*1-2/h5-7H,2-4H2,1H3;5H,2-4H2,1H3;2*2H,1H3/t5-,6?;5-;;/m11../s1.
What are the key properties of methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one?
methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one has a molecular weight of 294.39 g/mol, XLogP of 1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(6R)-6-methyloxan-2-ol;(6R)-6-methyloxan-2-one is sourced from PubChem (CID 159896978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).