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

C19H24O3 — CID 102533731

IUPAC[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCCC[C@@H](C)OC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C19H24O3/c1-4-5-9-14(2)22-19(20)18(21-3)17-13-8-11-15-10-6-7-12-16(15)17/h6-8,10-14,18H,4-5,9H2,1-3H3/t14-,18+/m1/s1
InChIKeyBTYSABDOSNXHFD-KDOFPFPSSA-N
MW300.40 g/mol
LogP4.65
Rot. Bonds7

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

[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (PubChem CID 102533731) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
PubChem CID102533731
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
SMILESCCCC[C@@H](C)OC(=O)[C@@H](OC)c1cccc2ccccc12
InChIInChI=1S/C19H24O3/c1-4-5-9-14(2)22-19(20)18(21-3)17-13-8-11-15-10-6-7-12-16(15)17/h6-8,10-14,18H,4-5,9H2,1-3H3/t14-,18+/m1/s1
InChIKeyBTYSABDOSNXHFD-KDOFPFPSSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533727
[(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
2-naphthalen-1-ylhexanoyl chloride
CID 131880950
[(2R,3S)-3-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxyheptan-2-yl] (2S)-2-anthracen-9-yl-2-methoxyacetate
CID 11456370
[(2R,3S)-3-[(2R)-2-anthracen-9-yl-2-methoxyacetyl]oxyheptan-2-yl] (2R)-2-anthracen-9-yl-2-methoxyacetate
CID 11763550
octan-2-yl naphthalene-1-carboxylate
CID 152706157
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
[(2S,3R)-3-[(2R)-2-methoxy-2-phenylacetyl]oxyheptan-2-yl] (2R)-2-methoxy-2-phenylacetate
CID 11418945
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The IUPAC name of [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate (CID 102533731) is [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate.
What is the SMILES notation for [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The canonical SMILES for [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is CCCC[C@@H](C)OC(=O)[C@@H](OC)c1cccc2ccccc12.
What is the InChIKey of [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
The InChIKey is BTYSABDOSNXHFD-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-5-9-14(2)22-19(20)18(21-3)17-13-8-11-15-10-6-7-12-16(15)17/h6-8,10-14,18H,4-5,9H2,1-3H3/t14-,18+/m1/s1.
What are the key properties of [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate?
[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate has a molecular weight of 300.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate is sourced from PubChem (CID 102533731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).