trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate

C19H18O4 — CID 882276

IUPACtrans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O4/c1-22-17(20)15-16(18(21)23-2)19(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyZMTMDYJPIDDFHD-HOTGVXAUSA-N
MW310.35 g/mol
LogP2.56
Rot. Bonds4

About trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate

trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate (PubChem CID 882276) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
PubChem CID882276
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nametrans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O4/c1-22-17(20)15-16(18(21)23-2)19(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyZMTMDYJPIDDFHD-HOTGVXAUSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate?
The IUPAC name of trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate (CID 882276) is trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate is COC(=O)[C@@H]1[C@@H](C(=O)OC)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate?
The InChIKey is ZMTMDYJPIDDFHD-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-17(20)15-16(18(21)23-2)19(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1.
What are the key properties of trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate?
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 882276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).