[(2S)-2-(methoxymethyl)oxan-2-yl]methanol

C8H16O3 — CID 101012991

IUPAC[(2S)-2-(methoxymethyl)oxan-2-yl]methanol
SMILESCOC[C@@]1(CO)CCCCO1
InChIInChI=1S/C8H16O3/c1-10-7-8(6-9)4-2-3-5-11-8/h9H,2-7H2,1H3/t8-/m0/s1
InChIKeyIHZMQQNYPIIYJK-QMMMGPOBSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds3

About [(2S)-2-(methoxymethyl)oxan-2-yl]methanol

[(2S)-2-(methoxymethyl)oxan-2-yl]methanol (PubChem CID 101012991) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)oxan-2-yl]methanol
PubChem CID101012991
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2S)-2-(methoxymethyl)oxan-2-yl]methanol
SMILESCOC[C@@]1(CO)CCCCO1
InChIInChI=1S/C8H16O3/c1-10-7-8(6-9)4-2-3-5-11-8/h9H,2-7H2,1H3/t8-/m0/s1
InChIKeyIHZMQQNYPIIYJK-QMMMGPOBSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyloxan-4-ol
CID 4914692
Tetrahydro-2,5-dimethyl-2H-pyran-2-methanol
CID 98034
(6,6-Dimethyloxan-2-yl)methanol
CID 57000651
(2,5,5-Trimethyloxan-2-yl)methanol
CID 90087661
2,2-Bis-(hydroxymethyl)-tetrahydropyran
CID 263165
(4-Ethoxyoxan-4-yl)methanol
CID 124251899
(3-Ethoxyoxan-3-yl)methanol
CID 165785965
4-Hydroxymethyl-2,2-dimethyltetrahydropyran-4-ol
CID 13620239
2,2,6-Trimethyl-6-(2-hydroxy-1-methoxyethyl)tetrahydropyran
CID 15409472
2,2-Dimethyl-4-ethyl-4-tetrahydropyranol
CID 12430717
2-Tetrahydropyranyl propylene glycol
CID 57055425
(2S,3S,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-ol
CID 57569211

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)oxan-2-yl]methanol?
The IUPAC name of [(2S)-2-(methoxymethyl)oxan-2-yl]methanol (CID 101012991) is [(2S)-2-(methoxymethyl)oxan-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(methoxymethyl)oxan-2-yl]methanol?
The canonical SMILES for [(2S)-2-(methoxymethyl)oxan-2-yl]methanol is COC[C@@]1(CO)CCCCO1.
What is the InChIKey of [(2S)-2-(methoxymethyl)oxan-2-yl]methanol?
The InChIKey is IHZMQQNYPIIYJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-7-8(6-9)4-2-3-5-11-8/h9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)oxan-2-yl]methanol?
[(2S)-2-(methoxymethyl)oxan-2-yl]methanol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)oxan-2-yl]methanol is sourced from PubChem (CID 101012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).