1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate

C12H20O2 — CID 25324

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate
SMILESCC(=O)OC1CCC2CCCCC2C1
InChIInChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3
InChIKeyXKCLIPLFEJSOAT-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate (PubChem CID 25324) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate
PubChem CID25324
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate
SMILESCC(=O)OC1CCC2CCCCC2C1
InChIInChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3
InChIKeyXKCLIPLFEJSOAT-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate (CID 25324) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate is CC(=O)OC1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate?
The InChIKey is XKCLIPLFEJSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate has a molecular weight of 196.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate is sourced from PubChem (CID 25324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).