[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate

C19H22O3 — CID 59482747

IUPAC[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COc1c(C)ccc2ccccc12
InChIInChI=1S/C19H22O3/c1-13(2)18(20)22-19(4,5)12-21-17-14(3)10-11-15-8-6-7-9-16(15)17/h6-11H,1,12H2,2-5H3
InChIKeyPKPFMBWWDGCQDP-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.42
Rot. Bonds5

About [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate

[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate (PubChem CID 59482747) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate
PubChem CID59482747
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COc1c(C)ccc2ccccc12
InChIInChI=1S/C19H22O3/c1-13(2)18(20)22-19(4,5)12-21-17-14(3)10-11-15-8-6-7-9-16(15)17/h6-11H,1,12H2,2-5H3
InChIKeyPKPFMBWWDGCQDP-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-1-ylpropan-2-yl 2-methylprop-2-enoate
CID 177106309
(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
CID 150505910
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate
CID 59482716
(1-anthracen-1-yloxy-2-methylpropan-2-yl) 2-(trifluoromethyl)prop-2-enoate
CID 59482827
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
chrysene;2-methylprop-1-ene
CID 173244266

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate (CID 59482747) is [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)COc1c(C)ccc2ccccc12.
What is the InChIKey of [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is PKPFMBWWDGCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)18(20)22-19(4,5)12-21-17-14(3)10-11-15-8-6-7-9-16(15)17/h6-11H,1,12H2,2-5H3.
What are the key properties of [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate?
[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 59482747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).