[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate

C24H30O3 — CID 101437820

IUPAC[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate
SMILESC#CC[C@H](CCCCCC)OC(=O)[C@](C)(OC)c1cccc2ccccc12
InChIInChI=1S/C24H30O3/c1-5-7-8-9-16-20(13-6-2)27-23(25)24(3,26-4)22-18-12-15-19-14-10-11-17-21(19)22/h2,10-12,14-15,17-18,20H,5,7-9,13,16H2,1,3-4H3/t20-,24-/m1/s1
InChIKeyXXDKLNIZOFGEHD-HYBUGGRVSA-N
MW366.50 g/mol
LogP5.61
Rot. Bonds10

About [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate

[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate (PubChem CID 101437820) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Name[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate
PubChem CID101437820
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate
SMILESC#CC[C@H](CCCCCC)OC(=O)[C@](C)(OC)c1cccc2ccccc12
InChIInChI=1S/C24H30O3/c1-5-7-8-9-16-20(13-6-2)27-23(25)24(3,26-4)22-18-12-15-19-14-10-11-17-21(19)22/h2,10-12,14-15,17-18,20H,5,7-9,13,16H2,1,3-4H3/t20-,24-/m1/s1
InChIKeyXXDKLNIZOFGEHD-HYBUGGRVSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate with MolForge

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Related Compounds

(12R)-12-[(2R)-2-methoxy-2-naphthalen-1-ylpropanoyl]oxyoctadecanoic acid
CID 101471350
2-oxononadecan-10-yl (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 102393098
[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 102381389
2-chloroethyl 2-methoxy-2-naphthalen-1-ylpropanoate
CID 67769540
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313
(4S)-4-methoxyheptadec-1-yne
CID 11558040
octan-2-yl naphthalene-1-carboxylate
CID 152706157
[(3R)-oct-1-yn-3-yl] (2S)-2-cyano-2-(1H-indol-3-yl)propanoate
CID 132967723
ditetratriacontan-9-yl benzene-1,2-dicarboxylate
CID 174790741
ditricosan-12-yl benzene-1,2-dicarboxylate
CID 66936794
dinonahectan-9-yl benzene-1,2-dicarboxylate
CID 139762193

Frequently Asked Questions

What is the IUPAC name of [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate?
The IUPAC name of [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate (CID 101437820) is [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate.
What is the SMILES notation for [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate?
The canonical SMILES for [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate is C#CC[C@H](CCCCCC)OC(=O)[C@](C)(OC)c1cccc2ccccc12.
What is the InChIKey of [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate?
The InChIKey is XXDKLNIZOFGEHD-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H30O3/c1-5-7-8-9-16-20(13-6-2)27-23(25)24(3,26-4)22-18-12-15-19-14-10-11-17-21(19)22/h2,10-12,14-15,17-18,20H,5,7-9,13,16H2,1,3-4H3/t20-,24-/m1/s1.
What are the key properties of [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate?
[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate has a molecular weight of 366.50 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate is sourced from PubChem (CID 101437820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).