methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate

C15H24O5 — CID 167461441

IUPACmethyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C[C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@H]23)C1
InChIInChI=1S/C15H24O5/c1-15(2)19-12-9(7-11(16)13(12)20-15)4-8-5-10(6-8)14(17)18-3/h8-13,16H,4-7H2,1-3H3/t8?,9-,10?,11-,12+,13-/m0/s1
InChIKeyDCHHQTLBKPNVKM-KRCKLZDVSA-N
MW284.35 g/mol
LogP1.48
Rot. Bonds3

About methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate

methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate (PubChem CID 167461441) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate
PubChem CID167461441
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C[C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@H]23)C1
InChIInChI=1S/C15H24O5/c1-15(2)19-12-9(7-11(16)13(12)20-15)4-8-5-10(6-8)14(17)18-3/h8-13,16H,4-7H2,1-3H3/t8?,9-,10?,11-,12+,13-/m0/s1
InChIKeyDCHHQTLBKPNVKM-KRCKLZDVSA-N
XLogP1.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate (CID 167461441) is methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate is COC(=O)C1CC(C[C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@H]23)C1.
What is the InChIKey of methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate?
The InChIKey is DCHHQTLBKPNVKM-KRCKLZDVSA-N. The full InChI is InChI=1S/C15H24O5/c1-15(2)19-12-9(7-11(16)13(12)20-15)4-8-5-10(6-8)14(17)18-3/h8-13,16H,4-7H2,1-3H3/t8?,9-,10?,11-,12+,13-/m0/s1.
What are the key properties of methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate?
methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3aS,4S,6S,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 167461441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).