6-naphthalen-2-yloxyhexyl prop-2-enoate

C19H22O3 — CID 22598602

IUPAC6-naphthalen-2-yloxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H22O3/c1-2-19(20)22-14-8-4-3-7-13-21-18-12-11-16-9-5-6-10-17(16)15-18/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2
InChIKeyKHVSYYOPPZRKLM-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.51
Rot. Bonds9

About 6-naphthalen-2-yloxyhexyl prop-2-enoate

6-naphthalen-2-yloxyhexyl prop-2-enoate (PubChem CID 22598602) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-naphthalen-2-yloxyhexyl prop-2-enoate.

Molecular Properties

Compound Name6-naphthalen-2-yloxyhexyl prop-2-enoate
PubChem CID22598602
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name6-naphthalen-2-yloxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H22O3/c1-2-19(20)22-14-8-4-3-7-13-21-18-12-11-16-9-5-6-10-17(16)15-18/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2
InChIKeyKHVSYYOPPZRKLM-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.51
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

11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid
CID 144827008
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
[(3R,4R)-2,5-dioxo-1-phenyl-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carbonyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate
CID 58250486
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
[3-hydroxy-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate
CID 89003490

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yloxyhexyl prop-2-enoate?
The IUPAC name of 6-naphthalen-2-yloxyhexyl prop-2-enoate (CID 22598602) is 6-naphthalen-2-yloxyhexyl prop-2-enoate.
What is the SMILES notation for 6-naphthalen-2-yloxyhexyl prop-2-enoate?
The canonical SMILES for 6-naphthalen-2-yloxyhexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 6-naphthalen-2-yloxyhexyl prop-2-enoate?
The InChIKey is KHVSYYOPPZRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-19(20)22-14-8-4-3-7-13-21-18-12-11-16-9-5-6-10-17(16)15-18/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2.
What are the key properties of 6-naphthalen-2-yloxyhexyl prop-2-enoate?
6-naphthalen-2-yloxyhexyl prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yloxyhexyl prop-2-enoate is sourced from PubChem (CID 22598602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).