methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate

C18H20O3 — CID 102438824

IUPACmethyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(OCC(C)=C(C)C)ccc2ccccc12
InChIInChI=1S/C18H20O3/c1-12(2)13(3)11-21-16-10-9-14-7-5-6-8-15(14)17(16)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyMJUDLQHCINYWOQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.36
Rot. Bonds4

About methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate

methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate (PubChem CID 102438824) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
PubChem CID102438824
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(OCC(C)=C(C)C)ccc2ccccc12
InChIInChI=1S/C18H20O3/c1-12(2)13(3)11-21-16-10-9-14-7-5-6-8-15(14)17(16)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyMJUDLQHCINYWOQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
methyl 2-(12-methyltridecoxy)naphthalene-1-carboxylate
CID 118870340
dimethyl picene-13,14-dicarboxylate
CID 101053496
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate?
The IUPAC name of methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate (CID 102438824) is methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate?
The canonical SMILES for methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate is COC(=O)c1c(OCC(C)=C(C)C)ccc2ccccc12.
What is the InChIKey of methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate?
The InChIKey is MJUDLQHCINYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12(2)13(3)11-21-16-10-9-14-7-5-6-8-15(14)17(16)18(19)20-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate?
methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate is sourced from PubChem (CID 102438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).