methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate

C19H30O3 — CID 102157247

IUPACmethyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
SMILESCCCCCCCCCCC1=C(C(=O)OC)[C@H]2CC=C[C@H]2O1
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-13-17-18(19(20)21-2)15-12-11-14-16(15)22-17/h11,14-16H,3-10,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKeySVMYRBDAXAUOKY-JKSUJKDBSA-N
MW306.45 g/mol
LogP4.92
Rot. Bonds10

About methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate

methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate (PubChem CID 102157247) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
PubChem CID102157247
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Namemethyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
SMILESCCCCCCCCCCC1=C(C(=O)OC)[C@H]2CC=C[C@H]2O1
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-13-17-18(19(20)21-2)15-12-11-14-16(15)22-17/h11,14-16H,3-10,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKeySVMYRBDAXAUOKY-JKSUJKDBSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (3aR,6aR)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 102157245
methyl (3aS,6aS)-2-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900064
methyl (3aS,6aS)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900065
methyl (3aS,7aS)-2-butyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 134900409
methyl (3aR,6aR)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134972565
methyl (3aR,6aR)-2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134972633
methyl (3aR,7aR)-2-(4-methylpent-3-enyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 134972666
methyl (3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134981106
methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 135021851
Methyl 2-(4-methylideneoct-1-en-2-yl)-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
CID 135067761
Ethyl 5-methyl-2-penta-1,4-dien-2-yl-2,3-dihydrofuran-4-carboxylate
CID 102390414
ethyl (3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 16039113

Frequently Asked Questions

What is the IUPAC name of methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate?
The IUPAC name of methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate (CID 102157247) is methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate.
What is the SMILES notation for methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate?
The canonical SMILES for methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate is CCCCCCCCCCC1=C(C(=O)OC)[C@H]2CC=C[C@H]2O1.
What is the InChIKey of methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate?
The InChIKey is SVMYRBDAXAUOKY-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-13-17-18(19(20)21-2)15-12-11-14-16(15)22-17/h11,14-16H,3-10,12-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate?
methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate has a molecular weight of 306.45 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate is sourced from PubChem (CID 102157247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).