naphthalen-2-yl 2-methylidenepentanoate

C16H16O2 — CID 139998509

IUPACnaphthalen-2-yl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c1-3-6-12(2)16(17)18-15-10-9-13-7-4-5-8-14(13)11-15/h4-5,7-11H,2-3,6H2,1H3
InChIKeyYQSGDYLLWISYDQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.10
Rot. Bonds4

About naphthalen-2-yl 2-methylidenepentanoate

naphthalen-2-yl 2-methylidenepentanoate (PubChem CID 139998509) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is naphthalen-2-yl 2-methylidenepentanoate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-methylidenepentanoate
PubChem CID139998509
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namenaphthalen-2-yl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c1-3-6-12(2)16(17)18-15-10-9-13-7-4-5-8-14(13)11-15/h4-5,7-11H,2-3,6H2,1H3
InChIKeyYQSGDYLLWISYDQ-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate
CID 138664639
phenyl 2-methylidenenonanoate
CID 102083402
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
naphthalen-2-yl 3-aminopropanoate
CID 82113672
naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
CID 71484556
naphthalen-2-yl 3-sulfanylpropanoate
CID 169079274
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
7-O-naphthalen-2-yl 1-O-pentyl heptanedioate
CID 91718857
naphthalen-2-yl 4-bromobutanoate
CID 532375
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
naphthalen-2-yl 4-butylbenzoate
CID 532284
(8-aminonaphthalen-2-yl) butanoate
CID 14205663

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-methylidenepentanoate?
The IUPAC name of naphthalen-2-yl 2-methylidenepentanoate (CID 139998509) is naphthalen-2-yl 2-methylidenepentanoate.
What is the SMILES notation for naphthalen-2-yl 2-methylidenepentanoate?
The canonical SMILES for naphthalen-2-yl 2-methylidenepentanoate is C=C(CCC)C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-methylidenepentanoate?
The InChIKey is YQSGDYLLWISYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-6-12(2)16(17)18-15-10-9-13-7-4-5-8-14(13)11-15/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of naphthalen-2-yl 2-methylidenepentanoate?
naphthalen-2-yl 2-methylidenepentanoate has a molecular weight of 240.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-methylidenepentanoate is sourced from PubChem (CID 139998509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).