bis(2-methylpropyl) 2,3-dipropoxybutanedioate

C18H34O6 — CID 139989269

IUPACbis(2-methylpropyl) 2,3-dipropoxybutanedioate
SMILESCCCOC(C(=O)OCC(C)C)C(OCCC)C(=O)OCC(C)C
InChIInChI=1S/C18H34O6/c1-7-9-21-15(17(19)23-11-13(3)4)16(22-10-8-2)18(20)24-12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyCZVLQCSCVBONST-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.98
Rot. Bonds13

About bis(2-methylpropyl) 2,3-dipropoxybutanedioate

bis(2-methylpropyl) 2,3-dipropoxybutanedioate (PubChem CID 139989269) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is bis(2-methylpropyl) 2,3-dipropoxybutanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) 2,3-dipropoxybutanedioate
PubChem CID139989269
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namebis(2-methylpropyl) 2,3-dipropoxybutanedioate
SMILESCCCOC(C(=O)OCC(C)C)C(OCCC)C(=O)OCC(C)C
InChIInChI=1S/C18H34O6/c1-7-9-21-15(17(19)23-11-13(3)4)16(22-10-8-2)18(20)24-12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyCZVLQCSCVBONST-UHFFFAOYSA-N
XLogP2.98
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441
(Z)-2-(2-methylpropoxy)-3-propoxybut-2-enedioic acid
CID 151076937
2,6-dimethyl-3-propoxyheptan-4-one
CID 59143560
2-methylpropyl 2-sulfanylpentanoate
CID 87341273
bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
4-O-(2-methylpropyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725313
propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate
CID 23234668
butanoic acid;2-methylpropyl 2-methylpropanoate
CID 174912688
2-O-(2-methylpropyl) 1-O-pentyl oxalate
CID 6420703
1-O-dodecyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91693464
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
2-methylpropyl pentyl carbonate;propane
CID 159689865

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 2,3-dipropoxybutanedioate?
The IUPAC name of bis(2-methylpropyl) 2,3-dipropoxybutanedioate (CID 139989269) is bis(2-methylpropyl) 2,3-dipropoxybutanedioate.
What is the SMILES notation for bis(2-methylpropyl) 2,3-dipropoxybutanedioate?
The canonical SMILES for bis(2-methylpropyl) 2,3-dipropoxybutanedioate is CCCOC(C(=O)OCC(C)C)C(OCCC)C(=O)OCC(C)C.
What is the InChIKey of bis(2-methylpropyl) 2,3-dipropoxybutanedioate?
The InChIKey is CZVLQCSCVBONST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-7-9-21-15(17(19)23-11-13(3)4)16(22-10-8-2)18(20)24-12-14(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of bis(2-methylpropyl) 2,3-dipropoxybutanedioate?
bis(2-methylpropyl) 2,3-dipropoxybutanedioate has a molecular weight of 346.46 g/mol, XLogP of 2.98, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 2,3-dipropoxybutanedioate is sourced from PubChem (CID 139989269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).