[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate

C14H16O2 — CID 68843407

IUPAC[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate
SMILESCC(=O)O/C=C/C1CCCc2ccccc21
InChIInChI=1S/C14H16O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-10,13H,4,6-7H2,1H3/b10-9+
InChIKeyCTFQEVMDENFENP-MDZDMXLPSA-N
MW216.28 g/mol
LogP3.18
Rot. Bonds2

About [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate

[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate (PubChem CID 68843407) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate.

Molecular Properties

Compound Name[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate
PubChem CID68843407
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate
SMILESCC(=O)O/C=C/C1CCCc2ccccc21
InChIInChI=1S/C14H16O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-10,13H,4,6-7H2,1H3/b10-9+
InChIKeyCTFQEVMDENFENP-MDZDMXLPSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
CID 70411002
2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
CID 154243339
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
[(5R,6S)-5-azido-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] acetate
CID 10988552
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate?
The IUPAC name of [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate (CID 68843407) is [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate.
What is the SMILES notation for [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate?
The canonical SMILES for [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate is CC(=O)O/C=C/C1CCCc2ccccc21.
What is the InChIKey of [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate?
The InChIKey is CTFQEVMDENFENP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-10,13H,4,6-7H2,1H3/b10-9+.
What are the key properties of [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate?
[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate has a molecular weight of 216.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate is sourced from PubChem (CID 68843407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).