5,6,7,8-tetrahydronaphthalen-1-yl acetate

C12H14O2 — CID 13186887

IUPAC5,6,7,8-tetrahydronaphthalen-1-yl acetate
SMILESCC(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyCVCPPNMOBWUVOL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalen-1-yl acetate

5,6,7,8-tetrahydronaphthalen-1-yl acetate (PubChem CID 13186887) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-yl acetate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-yl acetate
PubChem CID13186887
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-yl acetate
SMILESCC(=O)Oc1cccc2c1CCCC2
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyCVCPPNMOBWUVOL-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

CID 323
CID 323
CID 8797
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CID 80792
CID 80792
CID 11310
CID 11310
CID 68252
CID 68252
CID 10778
CID 10778
CID 11833
CID 11833
CID 7129
CID 7129
CID 16668
CID 16668
CID 17130
CID 17130
CID 75821
CID 75821
CID 67406
CID 67406

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl acetate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl acetate (CID 13186887) is 5,6,7,8-tetrahydronaphthalen-1-yl acetate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-yl acetate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-yl acetate is CC(=O)Oc1cccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-yl acetate?
The InChIKey is CVCPPNMOBWUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-yl acetate?
5,6,7,8-tetrahydronaphthalen-1-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-1-yl acetate is sourced from PubChem (CID 13186887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).