(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane

C16H28O4 — CID 10826931

IUPAC(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@@H]2CCC3(O[C@H](C)[C@@H](C)O3)[C@H]2C)O[C@@H]1C
InChIInChI=1S/C16H28O4/c1-9-14(8-15-17-10(2)11(3)18-15)6-7-16(9)19-12(4)13(5)20-16/h9-15H,6-8H2,1-5H3/t9-,10+,11+,12+,13+,14-/m0/s1
InChIKeyCIZXZYXRWGXDDC-NFTYFPCCSA-N
MW284.40 g/mol
LogP3.09
Rot. Bonds2

About (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane

(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 10826931) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID10826931
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1OC(C[C@@H]2CCC3(O[C@H](C)[C@@H](C)O3)[C@H]2C)O[C@@H]1C
InChIInChI=1S/C16H28O4/c1-9-14(8-15-17-10(2)11(3)18-15)6-7-16(9)19-12(4)13(5)20-16/h9-15H,6-8H2,1-5H3/t9-,10+,11+,12+,13+,14-/m0/s1
InChIKeyCIZXZYXRWGXDDC-NFTYFPCCSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-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,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane (CID 10826931) is (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane is C[C@H]1OC(C[C@@H]2CCC3(O[C@H](C)[C@@H](C)O3)[C@H]2C)O[C@@H]1C.
What is the InChIKey of (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is CIZXZYXRWGXDDC-NFTYFPCCSA-N. The full InChI is InChI=1S/C16H28O4/c1-9-14(8-15-17-10(2)11(3)18-15)6-7-16(9)19-12(4)13(5)20-16/h9-15H,6-8H2,1-5H3/t9-,10+,11+,12+,13+,14-/m0/s1.
What are the key properties of (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane?
(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 284.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 10826931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).