methyl 2-decoxynaphthalene-1-carboxylate

C22H30O3 — CID 118870325

IUPACmethyl 2-decoxynaphthalene-1-carboxylate
SMILESCCCCCCCCCCOc1ccc2ccccc2c1C(=O)OC
InChIInChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-12-17-25-20-16-15-18-13-10-11-14-19(18)21(20)22(23)24-2/h10-11,13-16H,3-9,12,17H2,1-2H3
InChIKeyGHPCRZMJTBNWAN-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.15
Rot. Bonds11

About methyl 2-decoxynaphthalene-1-carboxylate

methyl 2-decoxynaphthalene-1-carboxylate (PubChem CID 118870325) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is methyl 2-decoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-decoxynaphthalene-1-carboxylate
PubChem CID118870325
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Namemethyl 2-decoxynaphthalene-1-carboxylate
SMILESCCCCCCCCCCOc1ccc2ccccc2c1C(=O)OC
InChIInChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-12-17-25-20-16-15-18-13-10-11-14-19(18)21(20)22(23)24-2/h10-11,13-16H,3-9,12,17H2,1-2H3
InChIKeyGHPCRZMJTBNWAN-UHFFFAOYSA-N
XLogP6.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(12-methyltridecoxy)naphthalene-1-carboxylate
CID 118870340
methyl 2-tridecan-2-yloxynaphthalene-1-carboxylate
CID 118870402
2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
1-hexoxypyrene-4,5-dicarboxylic acid
CID 175033274
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1,4-didodecoxynaphthalene
CID 21304164
1-bromo-2-nonoxynaphthalene
CID 63529773
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804

Frequently Asked Questions

What is the IUPAC name of methyl 2-decoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 2-decoxynaphthalene-1-carboxylate (CID 118870325) is methyl 2-decoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-decoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-decoxynaphthalene-1-carboxylate is CCCCCCCCCCOc1ccc2ccccc2c1C(=O)OC.
What is the InChIKey of methyl 2-decoxynaphthalene-1-carboxylate?
The InChIKey is GHPCRZMJTBNWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-12-17-25-20-16-15-18-13-10-11-14-19(18)21(20)22(23)24-2/h10-11,13-16H,3-9,12,17H2,1-2H3.
What are the key properties of methyl 2-decoxynaphthalene-1-carboxylate?
methyl 2-decoxynaphthalene-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-decoxynaphthalene-1-carboxylate is sourced from PubChem (CID 118870325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).