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

C15H24O5 — CID 134903408

IUPACmethyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate
SMILESCOC(=O)C(C)(C)CCCC(=O)[C@H]1CC[C@@H]2OCO[C@@H]21
InChIInChI=1S/C15H24O5/c1-15(2,14(17)18-3)8-4-5-11(16)10-6-7-12-13(10)20-9-19-12/h10,12-13H,4-9H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyLESTWHAUZPFBNJ-KGYLQXTDSA-N
MW284.35 g/mol
LogP2.08
Rot. Bonds6

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

methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate (PubChem CID 134903408) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate
PubChem CID134903408
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate
SMILESCOC(=O)C(C)(C)CCCC(=O)[C@H]1CC[C@@H]2OCO[C@@H]21
InChIInChI=1S/C15H24O5/c1-15(2,14(17)18-3)8-4-5-11(16)10-6-7-12-13(10)20-9-19-12/h10,12-13H,4-9H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyLESTWHAUZPFBNJ-KGYLQXTDSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

dimethyl 2,2-dimethylhexanedioate
CID 28400
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
dimethyl 7-hydroxy-2,2,12,12-tetramethyltridecanedioate
CID 59660139
6-methoxy-5,5-bis(7-oxabicyclo[4.1.0]heptan-3-yl)-6-oxohexanoic acid
CID 87874183
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310
azane;methyl 2,2-dimethyl-4-sulfanylbutanoate;hydrobromide
CID 173206443
methyl 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 86746388
methyl 5-cyclohexa-1,5-dien-1-yloxy-2,2-dimethylpentanoate
CID 21280339
methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate?
The IUPAC name of methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate (CID 134903408) is methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate.
What is the SMILES notation for methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate?
The canonical SMILES for methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate is COC(=O)C(C)(C)CCCC(=O)[C@H]1CC[C@@H]2OCO[C@@H]21.
What is the InChIKey of methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate?
The InChIKey is LESTWHAUZPFBNJ-KGYLQXTDSA-N. The full InChI is InChI=1S/C15H24O5/c1-15(2,14(17)18-3)8-4-5-11(16)10-6-7-12-13(10)20-9-19-12/h10,12-13H,4-9H2,1-3H3/t10-,12+,13-/m1/s1.
What are the key properties of methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate?
methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate has a molecular weight of 284.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3aR,4S,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-2,2-dimethyl-6-oxohexanoate is sourced from PubChem (CID 134903408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).