(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one

C14H20O5 — CID 10923539

IUPAC(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@]23C=CC(=O)C3)O1
InChIInChI=1S/C14H20O5/c1-12(2)16-8-10(17-12)11-14(6-5-9(15)7-14)19-13(3,4)18-11/h5-6,10-11H,7-8H2,1-4H3/t10-,11-,14+/m1/s1
InChIKeyBQJPFUDWGHUIKB-GYSYKLTISA-N
MW268.31 g/mol
LogP1.56
Rot. Bonds1

About (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one

(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 10923539) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one
PubChem CID10923539
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@]23C=CC(=O)C3)O1
InChIInChI=1S/C14H20O5/c1-12(2)16-8-10(17-12)11-14(6-5-9(15)7-14)19-13(3,4)18-11/h5-6,10-11H,7-8H2,1-4H3/t10-,11-,14+/m1/s1
InChIKeyBQJPFUDWGHUIKB-GYSYKLTISA-N
XLogP1.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2H-furan-5-one
CID 14525638
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloxirane-2-carbaldehyde
CID 130035501
(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboperoxoic acid
CID 101471992
methyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate
CID 12719564
(3'aR,5'R,6R,6'aR)-5'-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-2',2'-dimethylspiro[2H-pyran-6,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5-one
CID 100957797
5-bromo-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-2H-pyran-6-one
CID 71050942
(3aR,5R,6R,6aR)-3',5',5'-trideuterio-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4'-(trideuteriomethyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,6'-pyran]-2'-one
CID 10593686
(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyloxan-4-one
CID 10608665
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
(3aR,4'R,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4'-propan-2-ylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]-1'-one
CID 23244507
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
CID 100967043

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one (CID 10923539) is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one is CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@]23C=CC(=O)C3)O1.
What is the InChIKey of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is BQJPFUDWGHUIKB-GYSYKLTISA-N. The full InChI is InChI=1S/C14H20O5/c1-12(2)16-8-10(17-12)11-14(6-5-9(15)7-14)19-13(3,4)18-11/h5-6,10-11H,7-8H2,1-4H3/t10-,11-,14+/m1/s1.
What are the key properties of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one?
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 268.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 10923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).