dimethyl 2,6-dipropyldecanedioate

C18H34O4 — CID 90334205

IUPACdimethyl 2,6-dipropyldecanedioate
SMILESCCCC(CCCC(=O)OC)CCCC(CCC)C(=O)OC
InChIInChI=1S/C18H34O4/c1-5-9-15(12-8-14-17(19)21-3)11-7-13-16(10-6-2)18(20)22-4/h15-16H,5-14H2,1-4H3
InChIKeyPRXVBKKDKWOWHS-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.51
Rot. Bonds13

About dimethyl 2,6-dipropyldecanedioate

dimethyl 2,6-dipropyldecanedioate (PubChem CID 90334205) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is dimethyl 2,6-dipropyldecanedioate.

Molecular Properties

Compound Namedimethyl 2,6-dipropyldecanedioate
PubChem CID90334205
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Namedimethyl 2,6-dipropyldecanedioate
SMILESCCCC(CCCC(=O)OC)CCCC(CCC)C(=O)OC
InChIInChI=1S/C18H34O4/c1-5-9-15(12-8-14-17(19)21-3)11-7-13-16(10-6-2)18(20)22-4/h15-16H,5-14H2,1-4H3
InChIKeyPRXVBKKDKWOWHS-UHFFFAOYSA-N
XLogP4.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tetramethyl tetradecane-1,4,11,14-tetracarboxylate
CID 142703786
methyl 18-propylhenicosanoate
CID 546011
dimethyl (2S)-2-tetradecylnonanedioate
CID 98231179
dimethyl 2-tetradecylnonanedioate
CID 4222825
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
methyl 2-propyltetradecanoate
CID 174361538
methyl 6-hydroxy-2-propylhexanoate
CID 176968447
dimethyl 2-ethylnonanedioate
CID 87129030
dimethyl 2-ethyloctadecanedioate
CID 87117347
methyl 6-acetylnonanoate
CID 101282206
trimethyl 1-methylhexadecane-1,8,16-tricarboxylate
CID 567053
methyl 4-pentylnonanoate
CID 177137762

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dipropyldecanedioate?
The IUPAC name of dimethyl 2,6-dipropyldecanedioate (CID 90334205) is dimethyl 2,6-dipropyldecanedioate.
What is the SMILES notation for dimethyl 2,6-dipropyldecanedioate?
The canonical SMILES for dimethyl 2,6-dipropyldecanedioate is CCCC(CCCC(=O)OC)CCCC(CCC)C(=O)OC.
What is the InChIKey of dimethyl 2,6-dipropyldecanedioate?
The InChIKey is PRXVBKKDKWOWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-5-9-15(12-8-14-17(19)21-3)11-7-13-16(10-6-2)18(20)22-4/h15-16H,5-14H2,1-4H3.
What are the key properties of dimethyl 2,6-dipropyldecanedioate?
dimethyl 2,6-dipropyldecanedioate has a molecular weight of 314.47 g/mol, XLogP of 4.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dipropyldecanedioate is sourced from PubChem (CID 90334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).