1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate

C15H26O4 — CID 66983160

IUPAC1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate
SMILESCC(C)COC(=O)C1CCCCC1C(=O)OC(C)C
InChIInChI=1S/C15H26O4/c1-10(2)9-18-14(16)12-7-5-6-8-13(12)15(17)19-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJLXUJVDYOFHHMU-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.94
Rot. Bonds5

About 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate

1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate (PubChem CID 66983160) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate
PubChem CID66983160
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate
SMILESCC(C)COC(=O)C1CCCCC1C(=O)OC(C)C
InChIInChI=1S/C15H26O4/c1-10(2)9-18-14(16)12-7-5-6-8-13(12)15(17)19-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJLXUJVDYOFHHMU-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate (CID 66983160) is 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate is CC(C)COC(=O)C1CCCCC1C(=O)OC(C)C.
What is the InChIKey of 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate?
The InChIKey is JLXUJVDYOFHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)9-18-14(16)12-7-5-6-8-13(12)15(17)19-11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate?
1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methylpropyl) 2-O-propan-2-yl cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 66983160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).