tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate

C19H32O5 — CID 101108313

IUPACtert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@H]1CCC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C[C@@H]21
InChIInChI=1S/C19H32O5/c1-18(2,3)24-17(20)11-21-14-8-6-7-12-9-15-16(10-13(12)14)23-19(4,5)22-15/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyRMCKXLUSCGEJBA-CWVYHPPDSA-N
MW340.46 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate

tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate (PubChem CID 101108313) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate
PubChem CID101108313
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Nametert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@H]1CCC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C[C@@H]21
InChIInChI=1S/C19H32O5/c1-18(2,3)24-17(20)11-21-14-8-6-7-12-9-15-16(10-13(12)14)23-19(4,5)22-15/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyRMCKXLUSCGEJBA-CWVYHPPDSA-N
XLogP3.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 68878336
tert-butyl 2-[(1R,3S)-3-hydroxycyclohexyl]oxyacetate
CID 58280201
tert-butyl (5S,9S)-9-(2-ethoxy-2-oxoethoxy)-3-azabicyclo[3.3.2]decane-3-carboxylate
CID 146663970
tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
CID 143503788
tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
CID 11260368
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
CID 142797891
2-[(4R,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]ethylazanium
CID 7168028
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433
tert-butyl 2-[(4S,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 18644844
tert-butyl 2-[3-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enoxy]acetate
CID 123559592
tert-butyl 2-[(4R)-6-(isocyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 59346953
2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 18185814

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate?
The IUPAC name of tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate (CID 101108313) is tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate.
What is the SMILES notation for tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate?
The canonical SMILES for tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate is CC(C)(C)OC(=O)CO[C@H]1CCC[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C[C@@H]21.
What is the InChIKey of tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate?
The InChIKey is RMCKXLUSCGEJBA-CWVYHPPDSA-N. The full InChI is InChI=1S/C19H32O5/c1-18(2,3)24-17(20)11-21-14-8-6-7-12-9-15-16(10-13(12)14)23-19(4,5)22-15/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate?
tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate has a molecular weight of 340.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(3aS,4aS,5S,8aR,9aR)-2,2-dimethyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[6,7-d][1,3]dioxol-5-yl]oxy]acetate is sourced from PubChem (CID 101108313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).