(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane

C15H26O4 — CID 10659678

IUPAC(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@@H]2CCC3(C2)O[C@H](C)[C@@H](C)O3)O[C@@H]1C
InChIInChI=1S/C15H26O4/c1-9-10(2)17-14(16-9)7-13-5-6-15(8-13)18-11(3)12(4)19-15/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13+/m1/s1
InChIKeyOCWQKIZBJZYELW-VEGXAWMVSA-N
MW270.37 g/mol
LogP2.85
Rot. Bonds2

About (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane

(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 10659678) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID10659678
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@@H]2CCC3(C2)O[C@H](C)[C@@H](C)O3)O[C@@H]1C
InChIInChI=1S/C15H26O4/c1-9-10(2)17-14(16-9)7-13-5-6-15(8-13)18-11(3)12(4)19-15/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13+/m1/s1
InChIKeyOCWQKIZBJZYELW-VEGXAWMVSA-N
XLogP2.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane (CID 10659678) is (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane is C[C@H]1OC(C[C@@H]2CCC3(C2)O[C@H](C)[C@@H](C)O3)O[C@@H]1C.
What is the InChIKey of (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is OCWQKIZBJZYELW-VEGXAWMVSA-N. The full InChI is InChI=1S/C15H26O4/c1-9-10(2)17-14(16-9)7-13-5-6-15(8-13)18-11(3)12(4)19-15/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13+/m1/s1.
What are the key properties of (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane?
(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 270.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 10659678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).