bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate

C18H24O6 — CID 70628959

IUPACbis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate
SMILESCCCCOc1occ(C(=O)OCC2CC2)c1C(=O)OCC1CC1
InChIInChI=1S/C18H24O6/c1-2-3-8-21-18-15(17(20)23-10-13-6-7-13)14(11-24-18)16(19)22-9-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyYQITUJLGGUQAQM-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.59
Rot. Bonds10

About bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate

bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate (PubChem CID 70628959) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate
PubChem CID70628959
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Namebis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate
SMILESCCCCOc1occ(C(=O)OCC2CC2)c1C(=O)OCC1CC1
InChIInChI=1S/C18H24O6/c1-2-3-8-21-18-15(17(20)23-10-13-6-7-13)14(11-24-18)16(19)22-9-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyYQITUJLGGUQAQM-UHFFFAOYSA-N
XLogP3.59
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopropylmethyl) 2,5-diethylfuran-3,4-dicarboxylate
CID 70628559
dibutyl 2-(4-methylphenyl)furan-3,4-dicarboxylate
CID 141236274
bis(cyclopropylmethyl) furan-2,3-dicarboxylate
CID 70628396
[4-(cyclopropylmethoxycarbonyl)phenyl] 4-(4-octoxyphenyl)benzoate
CID 101343479
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298142
4-O-(cyclohexylmethyl) 1-O-decyl benzene-1,4-dicarboxylate
CID 91700807
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
dibutyl 2-(3-methoxyphenyl)furan-3,4-dicarboxylate
CID 141236263
[4-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298146
cis-1-O-butyl 2-O-(cyclohexylmethyl) (1R,2S)-cyclohexane-1,2-dicarboxylate
CID 124680446

Frequently Asked Questions

What is the IUPAC name of bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate?
The IUPAC name of bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate (CID 70628959) is bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate.
What is the SMILES notation for bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate?
The canonical SMILES for bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate is CCCCOc1occ(C(=O)OCC2CC2)c1C(=O)OCC1CC1.
What is the InChIKey of bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate?
The InChIKey is YQITUJLGGUQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-2-3-8-21-18-15(17(20)23-10-13-6-7-13)14(11-24-18)16(19)22-9-12-4-5-12/h11-13H,2-10H2,1H3.
What are the key properties of bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate?
bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate has a molecular weight of 336.38 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropylmethyl) 2-butoxyfuran-3,4-dicarboxylate is sourced from PubChem (CID 70628959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).