naphthalen-1-yl 2-methylpent-2-enoate

C16H16O2 — CID 174366930

IUPACnaphthalen-1-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-3-7-12(2)16(17)18-15-11-6-9-13-8-4-5-10-14(13)15/h4-11H,3H2,1-2H3
InChIKeyDHSPKPMUOKKXJY-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.10
Rot. Bonds3

About naphthalen-1-yl 2-methylpent-2-enoate

naphthalen-1-yl 2-methylpent-2-enoate (PubChem CID 174366930) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is naphthalen-1-yl 2-methylpent-2-enoate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-methylpent-2-enoate
PubChem CID174366930
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namenaphthalen-1-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-3-7-12(2)16(17)18-15-11-6-9-13-8-4-5-10-14(13)15/h4-11H,3H2,1-2H3
InChIKeyDHSPKPMUOKKXJY-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

9H-carbazol-1-yl 2-methylpent-2-enoate
CID 174695043
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
phenanthren-4-yl 2-methylbut-2-enoate
CID 175406397
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
ethyl 3-naphthalen-1-yloxybut-2-enoate
CID 66894506
naphthalen-1-yl (E)-2-iodo-3-methylsulfanylprop-2-enoate
CID 156772115
4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
naphthalen-1-yl N-methylcarbamate
CID 23447097
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
CID 71356284

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-methylpent-2-enoate?
The IUPAC name of naphthalen-1-yl 2-methylpent-2-enoate (CID 174366930) is naphthalen-1-yl 2-methylpent-2-enoate.
What is the SMILES notation for naphthalen-1-yl 2-methylpent-2-enoate?
The canonical SMILES for naphthalen-1-yl 2-methylpent-2-enoate is CCC=C(C)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-methylpent-2-enoate?
The InChIKey is DHSPKPMUOKKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-7-12(2)16(17)18-15-11-6-9-13-8-4-5-10-14(13)15/h4-11H,3H2,1-2H3.
What are the key properties of naphthalen-1-yl 2-methylpent-2-enoate?
naphthalen-1-yl 2-methylpent-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-methylpent-2-enoate is sourced from PubChem (CID 174366930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).