methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate

C14H16O2 — CID 92532886

IUPACmethyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C\c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h6-10H,2-5H2,1H3/b9-7-
InChIKeyFSZKLFLTFYSJPX-CLFYSBASSA-N
MW216.28 g/mol
LogP2.75
Rot. Bonds2

About methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate

methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate (PubChem CID 92532886) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
PubChem CID92532886
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namemethyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C\c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h6-10H,2-5H2,1H3/b9-7-
InChIKeyFSZKLFLTFYSJPX-CLFYSBASSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
CID 19261502
methyl (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enoate
CID 44584092
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enoic acid
CID 71362115
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 110493699
methyl (E)-3-[4-(iodomethyl)phenyl]prop-2-enoate
CID 121222493
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7965941
methyl 3-[4-hydroxy-3-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54338609
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate (CID 92532886) is methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate is COC(=O)/C=C\c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate?
The InChIKey is FSZKLFLTFYSJPX-CLFYSBASSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h6-10H,2-5H2,1H3/b9-7-.
What are the key properties of methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate?
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 92532886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).