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

C16H28O4 — CID 10660743

IUPAC(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@]2(C)CCC3(C2)O[C@H](C)[C@@H](C)O3)O[C@@H]1C
InChIInChI=1S/C16H28O4/c1-10-11(2)18-14(17-10)8-15(5)6-7-16(9-15)19-12(3)13(4)20-16/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13-,15+/m1/s1
InChIKeyVHFKGEIDQXFPDI-HVNMYJMUSA-N
MW284.40 g/mol
LogP3.24
Rot. Bonds2

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

(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 10660743) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-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]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID10660743
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@]2(C)CCC3(C2)O[C@H](C)[C@@H](C)O3)O[C@@H]1C
InChIInChI=1S/C16H28O4/c1-10-11(2)18-14(17-10)8-15(5)6-7-16(9-15)19-12(3)13(4)20-16/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13-,15+/m1/s1
InChIKeyVHFKGEIDQXFPDI-HVNMYJMUSA-N
XLogP3.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-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]-2,3,8-trimethyl-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]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (CID 10660743) is (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-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]-2,3,8-trimethyl-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]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is C[C@H]1OC(C[C@]2(C)CCC3(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]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is VHFKGEIDQXFPDI-HVNMYJMUSA-N. The full InChI is InChI=1S/C16H28O4/c1-10-11(2)18-14(17-10)8-15(5)6-7-16(9-15)19-12(3)13(4)20-16/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13-,15+/m1/s1.
What are the key properties of (2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
(2R,3R,8S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 284.40 g/mol, XLogP of 3.24, 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]-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 10660743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).