2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol

C9H18O3 — CID 22983061

IUPAC2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
SMILESCC1OC(CO)C(C)C(O)C1C
InChIInChI=1S/C9H18O3/c1-5-7(3)12-8(4-10)6(2)9(5)11/h5-11H,4H2,1-3H3
InChIKeyJPBFCMGMIINRQP-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds1

About 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol

2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol (PubChem CID 22983061) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
PubChem CID22983061
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
SMILESCC1OC(CO)C(C)C(O)C1C
InChIInChI=1S/C9H18O3/c1-5-7(3)12-8(4-10)6(2)9(5)11/h5-11H,4H2,1-3H3
InChIKeyJPBFCMGMIINRQP-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol (CID 22983061) is 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol is CC1OC(CO)C(C)C(O)C1C.
What is the InChIKey of 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol?
The InChIKey is JPBFCMGMIINRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-7(3)12-8(4-10)6(2)9(5)11/h5-11H,4H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol?
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol has a molecular weight of 174.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol is sourced from PubChem (CID 22983061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).