cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate

C14H24O4 — CID 14849276

IUPACcis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1CCCC[C@H]1C(=O)OC(C)C
InChIInChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+
InChIKeyHFVJRYILMUSLFV-TXEJJXNPSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds4

About cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate

cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate (PubChem CID 14849276) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
PubChem CID14849276
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namecis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1CCCC[C@H]1C(=O)OC(C)C
InChIInChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+
InChIKeyHFVJRYILMUSLFV-TXEJJXNPSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate?
The IUPAC name of cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate (CID 14849276) is cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate?
The canonical SMILES for cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate is CC(C)OC(=O)[C@H]1CCCC[C@H]1C(=O)OC(C)C.
What is the InChIKey of cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate?
The InChIKey is HFVJRYILMUSLFV-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+.
What are the key properties of cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate?
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 14849276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).