methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate

C9H16O4 — CID 66290660

IUPACmethyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC(C)C1
InChIInChI=1S/C9H16O4/c1-6-5-7(3-4-13-6)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3
InChIKeyXAKWMPWQTWVLTP-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.34
Rot. Bonds2

About methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate

methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate (PubChem CID 66290660) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
PubChem CID66290660
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC(C)C1
InChIInChI=1S/C9H16O4/c1-6-5-7(3-4-13-6)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3
InChIKeyXAKWMPWQTWVLTP-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
bis(2-methyloxan-4-yl) carbonate
CID 178178580
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
methyl 2-[hydroxy(oxan-4-yl)methyl]butanoate
CID 62395274
2-methyloxane-4-carboxylic acid
CID 3729256

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate (CID 66290660) is methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate is COC(=O)C(O)C1CCOC(C)C1.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate?
The InChIKey is XAKWMPWQTWVLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-6-5-7(3-4-13-6)8(10)9(11)12-2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate?
methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate has a molecular weight of 188.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate is sourced from PubChem (CID 66290660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).