(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol

C7H14O3 — CID 153374722

IUPAC(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
SMILESC[C@H]1C(O)CCOC1CO
InChIInChI=1S/C7H14O3/c1-5-6(9)2-3-10-7(5)4-8/h5-9H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyLDPMFSORPRBPMR-VTSJMVTISA-N
MW146.19 g/mol
LogP-0.24
Rot. Bonds1

About (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol

(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol (PubChem CID 153374722) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol.

Molecular Properties

Compound Name(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
PubChem CID153374722
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
SMILESC[C@H]1C(O)CCOC1CO
InChIInChI=1S/C7H14O3/c1-5-6(9)2-3-10-7(5)4-8/h5-9H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyLDPMFSORPRBPMR-VTSJMVTISA-N
XLogP-0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(3-ethyloxolan-2-yl)methanol
CID 139662526
(3R)-2-methyloxolan-3-ol
CID 89032581
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
2-(3-hydroxypropyl)oxolan-3-ol
CID 145103835
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol?
The IUPAC name of (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol (CID 153374722) is (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol.
What is the SMILES notation for (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol?
The canonical SMILES for (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol is C[C@H]1C(O)CCOC1CO.
What is the InChIKey of (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol?
The InChIKey is LDPMFSORPRBPMR-VTSJMVTISA-N. The full InChI is InChI=1S/C7H14O3/c1-5-6(9)2-3-10-7(5)4-8/h5-9H,2-4H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol?
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol has a molecular weight of 146.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(hydroxymethyl)-3-methyloxan-4-ol is sourced from PubChem (CID 153374722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).