3-methyloxan-4-ol

C6H12O2 — CID 53407792

IUPAC3-methyloxan-4-ol
SMILESCC1COCCC1O
InChIInChI=1S/C6H12O2/c1-5-4-8-3-2-6(5)7/h5-7H,2-4H2,1H3
InChIKeyKDUCYGOVYIGXND-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds

About 3-methyloxan-4-ol

3-methyloxan-4-ol (PubChem CID 53407792) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methyloxan-4-ol.

Molecular Properties

Compound Name3-methyloxan-4-ol
PubChem CID53407792
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methyloxan-4-ol
SMILESCC1COCCC1O
InChIInChI=1S/C6H12O2/c1-5-4-8-3-2-6(5)7/h5-7H,2-4H2,1H3
InChIKeyKDUCYGOVYIGXND-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,3-pentanediol
CID 61099
Tetrahydro-2H-pyran-3-methanol
CID 85769
2,2-Dimethyloxan-4-ol
CID 4914692
4-Methylpentane-1,3-diol
CID 12896295
(5-Methyloxolan-3-yl)methanol
CID 15278170
(2R,3R)-2-Methyl-1,3-pentanediol
CID 10986199
2,4-Dimethylpentane-1,3-diol
CID 13272618
3-(Hydroxymethyl)oxan-4-ol
CID 350206
1-(Oxan-4-yl)ethan-1-ol
CID 12411803
(3R)-4-methylpentane-1,3-diol
CID 12896297
(2-Methyloxan-4-yl)methanol
CID 22235159
(1S)-1-(oxan-4-yl)ethan-1-ol
CID 65334692

Frequently Asked Questions

What is the IUPAC name of 3-methyloxan-4-ol?
The IUPAC name of 3-methyloxan-4-ol (CID 53407792) is 3-methyloxan-4-ol.
What is the SMILES notation for 3-methyloxan-4-ol?
The canonical SMILES for 3-methyloxan-4-ol is CC1COCCC1O.
What is the InChIKey of 3-methyloxan-4-ol?
The InChIKey is KDUCYGOVYIGXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-4-8-3-2-6(5)7/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyloxan-4-ol?
3-methyloxan-4-ol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxan-4-ol is sourced from PubChem (CID 53407792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).