8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate

C22H28O3 — CID 67166599

IUPAC8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H28O3/c1-18(2)22(23)25-16-10-6-4-3-5-9-15-24-21-14-13-19-11-7-8-12-20(19)17-21/h7-8,11-14,17H,1,3-6,9-10,15-16H2,2H3
InChIKeyRYXGQHHGGUYCGP-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.68
Rot. Bonds11

About 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate

8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate (PubChem CID 67166599) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
PubChem CID67166599
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H28O3/c1-18(2)22(23)25-16-10-6-4-3-5-9-15-24-21-14-13-19-11-7-8-12-20(19)17-21/h7-8,11-14,17H,1,3-6,9-10,15-16H2,2H3
InChIKeyRYXGQHHGGUYCGP-UHFFFAOYSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 6-[12-(2-methylprop-2-enoyloxy)dodecoxy]naphthalene-2-carboxylate
CID 100974126
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
12-[4-(2-cyano-2-naphthalen-2-ylethenyl)phenoxy]dodecyl 2-methylprop-2-enoate
CID 72575313
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
[(3R,4R)-1-methyl-4-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carbonyl]oxy-2,5-dioxopyrrolidin-3-yl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate
CID 58250492
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
4-[4-[2-[4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]ethynyl]phenoxy]butyl 2-methylprop-2-enoate
CID 58987347
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
8-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]octyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 66671830

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate?
The IUPAC name of 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate (CID 67166599) is 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate?
The canonical SMILES for 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate?
The InChIKey is RYXGQHHGGUYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-18(2)22(23)25-16-10-6-4-3-5-9-15-24-21-14-13-19-11-7-8-12-20(19)17-21/h7-8,11-14,17H,1,3-6,9-10,15-16H2,2H3.
What are the key properties of 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate?
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate has a molecular weight of 340.46 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate is sourced from PubChem (CID 67166599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).