methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate

C16H16O3 — CID 101032832

IUPACmethyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate
SMILESC=C[C@@](C)(OC(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C16H16O3/c1-4-16(2,19-15(17)18-3)14-11-7-9-12-8-5-6-10-13(12)14/h4-11H,1H2,2-3H3/t16-/m1/s1
InChIKeyWZEUVLJRZYDGDV-MRXNPFEDSA-N
MW256.30 g/mol
LogP4.02
Rot. Bonds3

About methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate

methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate (PubChem CID 101032832) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate
PubChem CID101032832
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate
SMILESC=C[C@@](C)(OC(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C16H16O3/c1-4-16(2,19-15(17)18-3)14-11-7-9-12-8-5-6-10-13(12)14/h4-11H,1H2,2-3H3/t16-/m1/s1
InChIKeyWZEUVLJRZYDGDV-MRXNPFEDSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[(1R)-1-hydroxy-1-naphthalen-1-ylethyl]but-3-enoate
CID 101424869
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
[(1R)-1-amino-1-naphthalen-1-ylethyl] (2R)-2-hydroxy-2-phenylacetate
CID 66777098
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2-phenanthren-1-ylpropan-2-yl 2-methylprop-2-enoate
CID 177106309
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080

Frequently Asked Questions

What is the IUPAC name of methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate?
The IUPAC name of methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate (CID 101032832) is methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate.
What is the SMILES notation for methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate?
The canonical SMILES for methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate is C=C[C@@](C)(OC(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate?
The InChIKey is WZEUVLJRZYDGDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O3/c1-4-16(2,19-15(17)18-3)14-11-7-9-12-8-5-6-10-13(12)14/h4-11H,1H2,2-3H3/t16-/m1/s1.
What are the key properties of methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate?
methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate has a molecular weight of 256.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(2R)-2-naphthalen-1-ylbut-3-en-2-yl] carbonate is sourced from PubChem (CID 101032832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).