5,6,7,8-tetrahydronaphthalen-2-yl acetate

C12H14O2 — CID 11769325

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl acetate
SMILESCC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5H2,1H3
InChIKeyWBEBTMYEBFKETP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalen-2-yl acetate

5,6,7,8-tetrahydronaphthalen-2-yl acetate (PubChem CID 11769325) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl acetate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl acetate
PubChem CID11769325
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl acetate
SMILESCC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5H2,1H3
InChIKeyWBEBTMYEBFKETP-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclofenil
CID 2898
2-Methoxynaphthalene
CID 7119
4-Methylphenyl acetate
CID 8797
Carvacryl acetate
CID 80792
Acetomenaphthone
CID 11310
Eugenyl Acetate
CID 7136
2-Naphthoxyacetic acid
CID 8422
4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
Thymol acetate
CID 68252
Isoeugenyl acetate
CID 876160
Diethylstilbestrol Dipropionate
CID 657220
p-Cresyl isovalerate
CID 62092

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl acetate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl acetate (CID 11769325) is 5,6,7,8-tetrahydronaphthalen-2-yl acetate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl acetate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl acetate is CC(=O)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl acetate?
The InChIKey is WBEBTMYEBFKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5H2,1H3.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl acetate?
5,6,7,8-tetrahydronaphthalen-2-yl acetate has a molecular weight of 190.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl acetate is sourced from PubChem (CID 11769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).