dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate

C16H26O5 — CID 10881064

IUPACdimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(=C(C)C)[C@H](C(C)(C)OC)C1
InChIInChI=1S/C16H26O5/c1-10(2)11-8-16(13(17)19-5,14(18)20-6)9-12(11)15(3,4)21-7/h12H,8-9H2,1-7H3/t12-/m1/s1
InChIKeyHCMDPXAUPBPFOH-GFCCVEGCSA-N
MW298.38 g/mol
LogP2.49
Rot. Bonds4

About dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate

dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate (PubChem CID 10881064) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
PubChem CID10881064
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Namedimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(=C(C)C)[C@H](C(C)(C)OC)C1
InChIInChI=1S/C16H26O5/c1-10(2)11-8-16(13(17)19-5,14(18)20-6)9-12(11)15(3,4)21-7/h12H,8-9H2,1-7H3/t12-/m1/s1
InChIKeyHCMDPXAUPBPFOH-GFCCVEGCSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
dimethyl (3Z)-3-(1-acetyloxyethylidene)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 102208222
dimethyl 3-acetyl-5-methylcyclohex-3-ene-1,1-dicarboxylate
CID 101465744
tetramethyl 1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 73407881
tetramethyl (8aS,8bS)-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 135054538
dimethyl 5-oxo-4-propan-2-ylidene-3,3a-dihydro-1H-pentalene-2,2-dicarboxylate
CID 12965689
dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102076885
dimethyl 3-ethenylidene-4-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 102294627
dimethyl 3-butyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 24973751
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl (3aS,6R)-6-acetyl-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 102398094

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate (CID 10881064) is dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(=C(C)C)[C@H](C(C)(C)OC)C1.
What is the InChIKey of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is HCMDPXAUPBPFOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26O5/c1-10(2)11-8-16(13(17)19-5,14(18)20-6)9-12(11)15(3,4)21-7/h12H,8-9H2,1-7H3/t12-/m1/s1.
What are the key properties of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10881064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).