(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate

C17H30O2 — CID 59602243

IUPAC(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2(CCCC2)CC1
InChIInChI=1S/C17H30O2/c1-5-15(2,3)14(18)19-16(4)10-12-17(13-11-16)8-6-7-9-17/h5-13H2,1-4H3
InChIKeyDAIZBCFFAGBOOL-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.86
Rot. Bonds3

About (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate

(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate (PubChem CID 59602243) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
PubChem CID59602243
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2(CCCC2)CC1
InChIInChI=1S/C17H30O2/c1-5-15(2,3)14(18)19-16(4)10-12-17(13-11-16)8-6-7-9-17/h5-13H2,1-4H3
InChIKeyDAIZBCFFAGBOOL-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate?
The IUPAC name of (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate (CID 59602243) is (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CCC2(CCCC2)CC1.
What is the InChIKey of (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate?
The InChIKey is DAIZBCFFAGBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-15(2,3)14(18)19-16(4)10-12-17(13-11-16)8-6-7-9-17/h5-13H2,1-4H3.
What are the key properties of (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate?
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate has a molecular weight of 266.42 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 59602243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).