[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate

C14H16O2 — CID 10889305

IUPAC[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate
SMILESC/C=C1/c2ccccc2CCC1OC(C)=O
InChIInChI=1S/C14H16O2/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-7,14H,8-9H2,1-2H3/b12-3-
InChIKeyFTWWXWYQMRZYOW-BASWHVEKSA-N
MW216.28 g/mol
LogP2.97
Rot. Bonds1

About [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate

[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate (PubChem CID 10889305) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate
PubChem CID10889305
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate
SMILESC/C=C1/c2ccccc2CCC1OC(C)=O
InChIInChI=1S/C14H16O2/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-7,14H,8-9H2,1-2H3/b12-3-
InChIKeyFTWWXWYQMRZYOW-BASWHVEKSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The IUPAC name of [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate (CID 10889305) is [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate.
What is the SMILES notation for [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The canonical SMILES for [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate is C/C=C1/c2ccccc2CCC1OC(C)=O.
What is the InChIKey of [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The InChIKey is FTWWXWYQMRZYOW-BASWHVEKSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-12-13-7-5-4-6-11(13)8-9-14(12)16-10(2)15/h3-7,14H,8-9H2,1-2H3/b12-3-.
What are the key properties of [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate?
[(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate has a molecular weight of 216.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-ethylidene-3,4-dihydro-2H-naphthalen-2-yl] acetate is sourced from PubChem (CID 10889305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).