dipropan-2-yl 4-hydroxyheptanedioate

C13H24O5 — CID 14639378

IUPACdipropan-2-yl 4-hydroxyheptanedioate
SMILESCC(C)OC(=O)CCC(O)CCC(=O)OC(C)C
InChIInChI=1S/C13H24O5/c1-9(2)17-12(15)7-5-11(14)6-8-13(16)18-10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyXTLMPIIYAHFNRX-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.81
Rot. Bonds8

About dipropan-2-yl 4-hydroxyheptanedioate

dipropan-2-yl 4-hydroxyheptanedioate (PubChem CID 14639378) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is dipropan-2-yl 4-hydroxyheptanedioate.

Molecular Properties

Compound Namedipropan-2-yl 4-hydroxyheptanedioate
PubChem CID14639378
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Namedipropan-2-yl 4-hydroxyheptanedioate
SMILESCC(C)OC(=O)CCC(O)CCC(=O)OC(C)C
InChIInChI=1S/C13H24O5/c1-9(2)17-12(15)7-5-11(14)6-8-13(16)18-10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyXTLMPIIYAHFNRX-UHFFFAOYSA-N
XLogP1.81
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-hydroxydodecanoate
CID 14065444
propan-2-yl 4,6-dimethylheptanoate
CID 134189436
propan-2-yl 6-methylheptanoate
CID 23338189
dipropan-2-yl 4-methyloctadecanedioate
CID 87117331
dipropan-2-yl 4-methylnonadecanedioate
CID 87116934
propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
CID 174550772
bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
CID 173205238
propan-2-yl 4-chloro-4-oxobutanoate
CID 15209176
propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321783
propan-2-yl 5-chlorohexanoate
CID 23047200
propan-2-yl 4-chlorobutanoate
CID 527700
propan-2-yl 4-sulfanylbutanoate
CID 57187047

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 4-hydroxyheptanedioate?
The IUPAC name of dipropan-2-yl 4-hydroxyheptanedioate (CID 14639378) is dipropan-2-yl 4-hydroxyheptanedioate.
What is the SMILES notation for dipropan-2-yl 4-hydroxyheptanedioate?
The canonical SMILES for dipropan-2-yl 4-hydroxyheptanedioate is CC(C)OC(=O)CCC(O)CCC(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 4-hydroxyheptanedioate?
The InChIKey is XTLMPIIYAHFNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-9(2)17-12(15)7-5-11(14)6-8-13(16)18-10(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of dipropan-2-yl 4-hydroxyheptanedioate?
dipropan-2-yl 4-hydroxyheptanedioate has a molecular weight of 260.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 4-hydroxyheptanedioate is sourced from PubChem (CID 14639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).