2-propylpentyl naphthalene-2-carboxylate

C19H24O2 — CID 146351385

IUPAC2-propylpentyl naphthalene-2-carboxylate
SMILESCCCC(CCC)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24O2/c1-3-7-15(8-4-2)14-21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3
InChIKeyUMCAVJBNYXVHBT-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.21
Rot. Bonds7

About 2-propylpentyl naphthalene-2-carboxylate

2-propylpentyl naphthalene-2-carboxylate (PubChem CID 146351385) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-propylpentyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-propylpentyl naphthalene-2-carboxylate
PubChem CID146351385
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-propylpentyl naphthalene-2-carboxylate
SMILESCCCC(CCC)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24O2/c1-3-7-15(8-4-2)14-21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3
InChIKeyUMCAVJBNYXVHBT-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutyl naphthalene-2-carboxylate
CID 21339899
2-(benzoyloxymethyl)pentyl benzoate;ethane-1,2-diol
CID 122470402
2-propylpentyl 4-methylsulfanylbenzoate
CID 91724983
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
propanoyl naphthalene-2-carboxylate
CID 118192395
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
2-methylbutan-1-ol;2-methylbutyl naphthalene-2-carboxylate;propyl 2-methylbutanoate
CID 54391249
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659

Frequently Asked Questions

What is the IUPAC name of 2-propylpentyl naphthalene-2-carboxylate?
The IUPAC name of 2-propylpentyl naphthalene-2-carboxylate (CID 146351385) is 2-propylpentyl naphthalene-2-carboxylate.
What is the SMILES notation for 2-propylpentyl naphthalene-2-carboxylate?
The canonical SMILES for 2-propylpentyl naphthalene-2-carboxylate is CCCC(CCC)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-propylpentyl naphthalene-2-carboxylate?
The InChIKey is UMCAVJBNYXVHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-7-15(8-4-2)14-21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-propylpentyl naphthalene-2-carboxylate?
2-propylpentyl naphthalene-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentyl naphthalene-2-carboxylate is sourced from PubChem (CID 146351385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).