dipropan-2-yl decanedioate

C16H30O4 — CID 24096

IUPACdipropan-2-yl decanedioate
SMILESCC(C)OC(=O)CCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyXFKBBSZEQRFVSL-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.01
Rot. Bonds11

About dipropan-2-yl decanedioate

dipropan-2-yl decanedioate (PubChem CID 24096) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is dipropan-2-yl decanedioate.

Molecular Properties

Compound Namedipropan-2-yl decanedioate
PubChem CID24096
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Namedipropan-2-yl decanedioate
SMILESCC(C)OC(=O)CCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyXFKBBSZEQRFVSL-UHFFFAOYSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 10850
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CID 7710
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CID 7986
Isopropyl Palmitate
CID 8907
Methyl Laurate
CID 8139
Methyl Decanoate
CID 8050
Tricaprin
CID 69310
Gamma-undecalactone
CID 7714
Methyl Octanoate
CID 8091

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl decanedioate?
The IUPAC name of dipropan-2-yl decanedioate (CID 24096) is dipropan-2-yl decanedioate.
What is the SMILES notation for dipropan-2-yl decanedioate?
The canonical SMILES for dipropan-2-yl decanedioate is CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl decanedioate?
The InChIKey is XFKBBSZEQRFVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of dipropan-2-yl decanedioate?
dipropan-2-yl decanedioate has a molecular weight of 286.41 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl decanedioate is sourced from PubChem (CID 24096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).