(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane

C16H28O3 — CID 134942027

IUPAC(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane
SMILESCC(C)[C@H]1CC[C@H](C2OCCO2)C2(CCCCC2)O1
InChIInChI=1S/C16H28O3/c1-12(2)14-7-6-13(15-17-10-11-18-15)16(19-14)8-4-3-5-9-16/h12-15H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeySOWXLTJAPNOFEM-ZIAGYGMSSA-N
MW268.40 g/mol
LogP3.51
Rot. Bonds2

About (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane

(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane (PubChem CID 134942027) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane
PubChem CID134942027
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane
SMILESCC(C)[C@H]1CC[C@H](C2OCCO2)C2(CCCCC2)O1
InChIInChI=1S/C16H28O3/c1-12(2)14-7-6-13(15-17-10-11-18-15)16(19-14)8-4-3-5-9-16/h12-15H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeySOWXLTJAPNOFEM-ZIAGYGMSSA-N
XLogP3.51
TPSA27.69 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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane?
The IUPAC name of (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane (CID 134942027) is (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane?
The canonical SMILES for (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane is CC(C)[C@H]1CC[C@H](C2OCCO2)C2(CCCCC2)O1.
What is the InChIKey of (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane?
The InChIKey is SOWXLTJAPNOFEM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28O3/c1-12(2)14-7-6-13(15-17-10-11-18-15)16(19-14)8-4-3-5-9-16/h12-15H,3-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane?
(2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane has a molecular weight of 268.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1,3-dioxolan-2-yl)-2-propan-2-yl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 134942027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).