(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol

C10H20O3 — CID 15853495

IUPAC(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol
SMILESCOC[C@]1(O)CCCCCO[C@H]1C
InChIInChI=1S/C10H20O3/c1-9-10(11,8-12-2)6-4-3-5-7-13-9/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeySBEXHBNJPJMZQP-VHSXEESVSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds2

About (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol

(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol (PubChem CID 15853495) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol
PubChem CID15853495
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol
SMILESCOC[C@]1(O)CCCCCO[C@H]1C
InChIInChI=1S/C10H20O3/c1-9-10(11,8-12-2)6-4-3-5-7-13-9/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeySBEXHBNJPJMZQP-VHSXEESVSA-N
XLogP1.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
(2S,3S)-3-(methoxymethyl)-2-(2-phenylethyl)oxepan-3-ol
CID 177448453
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
3-(methoxymethyl)-2-methyloxolan-3-amine
CID 114535350
2-methoxy-2-(methoxymethyl)oxane
CID 45090978
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
2-(bromomethyl)-2-(methoxymethyl)oxane
CID 130624431
3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 107270775
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
2-methyl-3-pentyloxolan-3-ol
CID 82718337
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
CID 82717713
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol?
The IUPAC name of (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol (CID 15853495) is (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol.
What is the SMILES notation for (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol?
The canonical SMILES for (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol is COC[C@]1(O)CCCCCO[C@H]1C.
What is the InChIKey of (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol?
The InChIKey is SBEXHBNJPJMZQP-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O3/c1-9-10(11,8-12-2)6-4-3-5-7-13-9/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol?
(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol is sourced from PubChem (CID 15853495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).