[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

C16H22Cl2O7 — CID 10340735

IUPAC[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCC(=O)O[C@@H]([C@@H]1OC(=C(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H22Cl2O7/c1-7(19)21-9(8-6-20-15(2,3)23-8)10-11-12(13(22-10)14(17)18)25-16(4,5)24-11/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyBZPDZORKVLZWQJ-RMPHRYRLSA-N
MW397.25 g/mol
LogP2.64
Rot. Bonds3

About [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (PubChem CID 10340735) has the molecular formula C16H22Cl2O7 and a molecular weight of 397.25 g/mol. Its IUPAC name is [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.

Molecular Properties

Compound Name[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
PubChem CID10340735
Molecular FormulaC16H22Cl2O7
Molecular Weight397.25 g/mol
Exact Mass396.07
IUPAC Name[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCC(=O)O[C@@H]([C@@H]1OC(=C(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H22Cl2O7/c1-7(19)21-9(8-6-20-15(2,3)23-8)10-11-12(13(22-10)14(17)18)25-16(4,5)24-11/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyBZPDZORKVLZWQJ-RMPHRYRLSA-N
XLogP2.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate with MolForge

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Related Compounds

[(R)-[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 100983038
2-[(4S,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 24814903
sodium (4S)-4-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-oxobutanoate
CID 44511278
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 10598264
(Z,3R)-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1,3-dihydroxyprop-1-ene-2-diazonium
CID 11811776
bis[2-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] carbonate
CID 176887438
[(5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-formyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl] acetate
CID 11174573
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
methyl (2Z)-2-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]-2-bromoacetate
CID 56925313
[[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanylmethyl] acetate
CID 134916300
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653

Frequently Asked Questions

What is the IUPAC name of [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The IUPAC name of [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (CID 10340735) is [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.
What is the SMILES notation for [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The canonical SMILES for [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is CC(=O)O[C@@H]([C@@H]1OC(=C(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The InChIKey is BZPDZORKVLZWQJ-RMPHRYRLSA-N. The full InChI is InChI=1S/C16H22Cl2O7/c1-7(19)21-9(8-6-20-15(2,3)23-8)10-11-12(13(22-10)14(17)18)25-16(4,5)24-11/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate has a molecular weight of 397.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is sourced from PubChem (CID 10340735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).