bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate

C23H44O4 — CID 175261720

IUPACbis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate
SMILESCCCCC(CC)(C(=O)OCC(C)C)C(CC)(C(=O)OCC(C)C)C(C)C
InChIInChI=1S/C23H44O4/c1-10-13-14-22(11-2,20(24)26-15-17(4)5)23(12-3,19(8)9)21(25)27-16-18(6)7/h17-19H,10-16H2,1-9H3
InChIKeyBWFWMIKFZMDSPT-UHFFFAOYSA-N
MW384.60 g/mol
LogP6.02
Rot. Bonds13

About bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate

bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate (PubChem CID 175261720) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate.

Molecular Properties

Compound Namebis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate
PubChem CID175261720
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Namebis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate
SMILESCCCCC(CC)(C(=O)OCC(C)C)C(CC)(C(=O)OCC(C)C)C(C)C
InChIInChI=1S/C23H44O4/c1-10-13-14-22(11-2,20(24)26-15-17(4)5)23(12-3,19(8)9)21(25)27-16-18(6)7/h17-19H,10-16H2,1-9H3
InChIKeyBWFWMIKFZMDSPT-UHFFFAOYSA-N
XLogP6.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-methylpropyl) 2-ethyl-3,3-bis(2-methylpropyl)-2-tetradecylbutanedioate;2-methyl-2-propan-2-ylbutanedioic acid
CID 175571671
2-methylpropyl 2,2-dimethylheptanoate
CID 58096950
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
bis(2-methylpropyl) 2-hexyl-2-(3-methylbutyl)propanedioate
CID 141386018
bis(2-methylpropyl) 3-butyl-3-propan-2-ylpentanedioate
CID 18618099
1-O-(2-methylpropyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91714570
1-O-butyl 5-O-(2-methylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 126725784
dibutyl 2-butyl-2-propan-2-ylpropanedioate
CID 57179472
2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate
CID 174738645
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
2-methylpropyl (E)-octadec-10-enoate
CID 21291237

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate?
The IUPAC name of bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate (CID 175261720) is bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate.
What is the SMILES notation for bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate?
The canonical SMILES for bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate is CCCCC(CC)(C(=O)OCC(C)C)C(CC)(C(=O)OCC(C)C)C(C)C.
What is the InChIKey of bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate?
The InChIKey is BWFWMIKFZMDSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O4/c1-10-13-14-22(11-2,20(24)26-15-17(4)5)23(12-3,19(8)9)21(25)27-16-18(6)7/h17-19H,10-16H2,1-9H3.
What are the key properties of bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate?
bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate has a molecular weight of 384.60 g/mol, XLogP of 6.02, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate is sourced from PubChem (CID 175261720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).