(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate

C17H30O4 — CID 58716311

IUPAC(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate
SMILESCC(C)C1CCCC(OC(=O)C2CCCC(C(C)C)O2)O1
InChIInChI=1S/C17H30O4/c1-11(2)13-7-5-9-15(19-13)17(18)21-16-10-6-8-14(20-16)12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyDROUCEMIZCVJGM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.67
Rot. Bonds4

About (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate

(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate (PubChem CID 58716311) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate.

Molecular Properties

Compound Name(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate
PubChem CID58716311
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate
SMILESCC(C)C1CCCC(OC(=O)C2CCCC(C(C)C)O2)O1
InChIInChI=1S/C17H30O4/c1-11(2)13-7-5-9-15(19-13)17(18)21-16-10-6-8-14(20-16)12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyDROUCEMIZCVJGM-UHFFFAOYSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate?
The IUPAC name of (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate (CID 58716311) is (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate.
What is the SMILES notation for (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate?
The canonical SMILES for (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate is CC(C)C1CCCC(OC(=O)C2CCCC(C(C)C)O2)O1.
What is the InChIKey of (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate?
The InChIKey is DROUCEMIZCVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-11(2)13-7-5-9-15(19-13)17(18)21-16-10-6-8-14(20-16)12(3)4/h11-16H,5-10H2,1-4H3.
What are the key properties of (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate?
(6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate has a molecular weight of 298.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxan-2-yl) 6-propan-2-yloxane-2-carboxylate is sourced from PubChem (CID 58716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).