(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate

C16H28O3 — CID 23346566

IUPAC(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate
SMILESCCC(=O)OC1(C)CCCC(C)(C)C12CCC(C)O2
InChIInChI=1S/C16H28O3/c1-6-13(17)19-15(5)10-7-9-14(3,4)16(15)11-8-12(2)18-16/h12H,6-11H2,1-5H3
InChIKeyHCXMCINGSJDYKG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.85
Rot. Bonds2

About (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate

(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate (PubChem CID 23346566) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate.

Molecular Properties

Compound Name(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate
PubChem CID23346566
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate
SMILESCCC(=O)OC1(C)CCCC(C)(C)C12CCC(C)O2
InChIInChI=1S/C16H28O3/c1-6-13(17)19-15(5)10-7-9-14(3,4)16(15)11-8-12(2)18-16/h12H,6-11H2,1-5H3
InChIKeyHCXMCINGSJDYKG-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate?
The IUPAC name of (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate (CID 23346566) is (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate.
What is the SMILES notation for (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate?
The canonical SMILES for (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate is CCC(=O)OC1(C)CCCC(C)(C)C12CCC(C)O2.
What is the InChIKey of (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate?
The InChIKey is HCXMCINGSJDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-6-13(17)19-15(5)10-7-9-14(3,4)16(15)11-8-12(2)18-16/h12H,6-11H2,1-5H3.
What are the key properties of (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate?
(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate has a molecular weight of 268.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate is sourced from PubChem (CID 23346566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).