methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate

C10H18O4 — CID 23248822

IUPACmethyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H18O4/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,11-12H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyKMSGVUBIMSWNRT-BDAKNGLRSA-N
MW202.25 g/mol
LogP0.46
Rot. Bonds3

About methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate

methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate (PubChem CID 23248822) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate
PubChem CID23248822
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H18O4/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,11-12H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyKMSGVUBIMSWNRT-BDAKNGLRSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate?
The IUPAC name of methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate (CID 23248822) is methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate?
The canonical SMILES for methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate is COC(=O)[C@@H](O)[C@H](O)C1CCCCC1.
What is the InChIKey of methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate?
The InChIKey is KMSGVUBIMSWNRT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O4/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,11-12H,2-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate?
methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate has a molecular weight of 202.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-cyclohexyl-2,3-dihydroxypropanoate is sourced from PubChem (CID 23248822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).