6-hex-5-enoxynaphthalene-1-carboxylic acid

C17H18O3 — CID 57076344

IUPAC6-hex-5-enoxynaphthalene-1-carboxylic acid
SMILESC=CCCCCOc1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C17H18O3/c1-2-3-4-5-11-20-14-9-10-15-13(12-14)7-6-8-16(15)17(18)19/h2,6-10,12H,1,3-5,11H2,(H,18,19)
InChIKeyMWKSXGCLFYMJSJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.27
Rot. Bonds7

About 6-hex-5-enoxynaphthalene-1-carboxylic acid

6-hex-5-enoxynaphthalene-1-carboxylic acid (PubChem CID 57076344) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-hex-5-enoxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-hex-5-enoxynaphthalene-1-carboxylic acid
PubChem CID57076344
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name6-hex-5-enoxynaphthalene-1-carboxylic acid
SMILESC=CCCCCOc1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C17H18O3/c1-2-3-4-5-11-20-14-9-10-15-13(12-14)7-6-8-16(15)17(18)19/h2,6-10,12H,1,3-5,11H2,(H,18,19)
InChIKeyMWKSXGCLFYMJSJ-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-undec-10-enoxyphenyl)benzoic acid
CID 139786123
1-[4-[(2S)-2-chloro-4-methylpentoxy]carbonylphenyl]-6-undec-10-enoxynaphthalene-2-carboxylic acid
CID 22859169
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377
4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942
2-but-3-enoxy-4-octoxybenzoic acid
CID 19426217
2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
CID 70460816
1-bromo-3-hex-5-enoxybenzene
CID 146004224
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
[3-[4-(4-undec-10-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-undec-10-enoxyphenyl)benzoate
CID 101351833
1-chloro-6-octoxynaphthalene-2-carboxylic acid
CID 57123224
[3-[4-(4-dec-9-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-dec-9-enoxyphenyl)benzoate
CID 101351837

Frequently Asked Questions

What is the IUPAC name of 6-hex-5-enoxynaphthalene-1-carboxylic acid?
The IUPAC name of 6-hex-5-enoxynaphthalene-1-carboxylic acid (CID 57076344) is 6-hex-5-enoxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-hex-5-enoxynaphthalene-1-carboxylic acid?
The canonical SMILES for 6-hex-5-enoxynaphthalene-1-carboxylic acid is C=CCCCCOc1ccc2c(C(=O)O)cccc2c1.
What is the InChIKey of 6-hex-5-enoxynaphthalene-1-carboxylic acid?
The InChIKey is MWKSXGCLFYMJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-3-4-5-11-20-14-9-10-15-13(12-14)7-6-8-16(15)17(18)19/h2,6-10,12H,1,3-5,11H2,(H,18,19).
What are the key properties of 6-hex-5-enoxynaphthalene-1-carboxylic acid?
6-hex-5-enoxynaphthalene-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hex-5-enoxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 57076344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).