[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate

C18H22O3 — CID 102533727

IUPAC[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCC[C@H](C)OC(=O)[C@H](OC)c1cccc2ccccc12
InChIInChI=1S/C18H22O3/c1-4-8-13(2)21-18(19)17(20-3)16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,4,8H2,1-3H3/t13-,17+/m0/s1
InChIKeyNACWPZQXAWSRPU-SUMWQHHRSA-N
MW286.37 g/mol
LogP4.26
Rot. Bonds6

About [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate

[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate (PubChem CID 102533727) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
PubChem CID102533727
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCC[C@H](C)OC(=O)[C@H](OC)c1cccc2ccccc12
InChIInChI=1S/C18H22O3/c1-4-8-13(2)21-18(19)17(20-3)16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,4,8H2,1-3H3/t13-,17+/m0/s1
InChIKeyNACWPZQXAWSRPU-SUMWQHHRSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533731
[(3S)-hexan-3-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533735
[(3S)-3-methyldecyl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 24796642
[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate
CID 102172592
1-naphthalen-1-ylethyl carbamate
CID 14959373
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
CID 135040960
2-naphthalen-1-ylpentanoate
CID 154825316
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
CID 174829353
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729

Frequently Asked Questions

What is the IUPAC name of [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate?
The IUPAC name of [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate (CID 102533727) is [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate.
What is the SMILES notation for [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate?
The canonical SMILES for [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate is CCC[C@H](C)OC(=O)[C@H](OC)c1cccc2ccccc12.
What is the InChIKey of [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate?
The InChIKey is NACWPZQXAWSRPU-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-8-13(2)21-18(19)17(20-3)16-12-7-10-14-9-5-6-11-15(14)16/h5-7,9-13,17H,4,8H2,1-3H3/t13-,17+/m0/s1.
What are the key properties of [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate?
[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate has a molecular weight of 286.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate is sourced from PubChem (CID 102533727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).