methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate

C17H18O2 — CID 67158729

IUPACmethyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
SMILESC/C=C(/CC)c1ccc2cc(C(=O)OC)ccc2c1
InChIInChI=1S/C17H18O2/c1-4-12(5-2)13-6-7-15-11-16(17(18)19-3)9-8-14(15)10-13/h4,6-11H,5H2,1-3H3/b12-4-
InChIKeyMKFOQXNZBBEOKT-QCDXTXTGSA-N
MW254.33 g/mol
LogP4.44
Rot. Bonds3

About methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate

methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate (PubChem CID 67158729) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
PubChem CID67158729
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namemethyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
SMILESC/C=C(/CC)c1ccc2cc(C(=O)OC)ccc2c1
InChIInChI=1S/C17H18O2/c1-4-12(5-2)13-6-7-15-11-16(17(18)19-3)9-8-14(15)10-13/h4,6-11H,5H2,1-3H3/b12-4-
InChIKeyMKFOQXNZBBEOKT-QCDXTXTGSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
methyl 6-(2-cyanoacetyl)naphthalene-2-carboxylate
CID 146356427
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
ethane;ethene;methyl 5-ethyl-6-hydroxynaphthalene-2-carboxylate
CID 144537002
methyl 4-amino-3-[(E)-5-oxohex-3-en-3-yl]benzoate
CID 143148765
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
6-O-methyl 2-O-(4-pentylphenyl) naphthalene-2,6-dicarboxylate
CID 611612

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate (CID 67158729) is methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate is C/C=C(/CC)c1ccc2cc(C(=O)OC)ccc2c1.
What is the InChIKey of methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate?
The InChIKey is MKFOQXNZBBEOKT-QCDXTXTGSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-12(5-2)13-6-7-15-11-16(17(18)19-3)9-8-14(15)10-13/h4,6-11H,5H2,1-3H3/b12-4-.
What are the key properties of methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate?
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 67158729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).