2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate

C17H30O2 — CID 59782916

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15/h12-15H,5-11H2,1-4H3
InChIKeySFFDWZGNEXRPFA-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.57
Rot. Bonds3

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate (PubChem CID 59782916) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate
PubChem CID59782916
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15/h12-15H,5-11H2,1-4H3
InChIKeySFFDWZGNEXRPFA-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate (CID 59782916) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate is CC(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate?
The InChIKey is SFFDWZGNEXRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-12(2)16(18)19-17(3,4)15-10-9-13-7-5-6-8-14(13)11-15/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate has a molecular weight of 266.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 59782916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).