(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate

C25H38O6 — CID 157234362

IUPAC(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate
SMILESCCCCCCc1ccc(CCCCCOC=O)o1.CCCCc1ccc(OC=O)o1
InChIInChI=1S/C16H26O3.C9H12O3/c1-2-3-4-6-9-15-11-12-16(19-15)10-7-5-8-13-18-14-17;1-2-3-4-8-5-6-9(12-8)11-7-10/h11-12,14H,2-10,13H2,1H3;5-7H,2-4H2,1H3
InChIKeyAULQVHIHXKOLOV-UHFFFAOYSA-N
MW434.57 g/mol
LogP6.45
Rot. Bonds17

About (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate

(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate (PubChem CID 157234362) has the molecular formula C25H38O6 and a molecular weight of 434.57 g/mol. Its IUPAC name is (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate.

Molecular Properties

Compound Name(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate
PubChem CID157234362
Molecular FormulaC25H38O6
Molecular Weight434.57 g/mol
Exact Mass434.27
IUPAC Name(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate
SMILESCCCCCCc1ccc(CCCCCOC=O)o1.CCCCc1ccc(OC=O)o1
InChIInChI=1S/C16H26O3.C9H12O3/c1-2-3-4-6-9-15-11-12-16(19-15)10-7-5-8-13-18-14-17;1-2-3-4-8-5-6-9(12-8)11-7-10/h11-12,14H,2-10,13H2,1H3;5-7H,2-4H2,1H3
InChIKeyAULQVHIHXKOLOV-UHFFFAOYSA-N
XLogP6.45
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-propylfuran-2-yl) formate
CID 130346190
hexacosyl formate
CID 87446465
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
potassium;hydride;pentyl formate
CID 173073840
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
acetic acid;formic acid;hexadecyl formate
CID 173191278
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
(4-decoxyphenyl) formate
CID 54244817

Frequently Asked Questions

What is the IUPAC name of (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate?
The IUPAC name of (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate (CID 157234362) is (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate.
What is the SMILES notation for (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate?
The canonical SMILES for (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate is CCCCCCc1ccc(CCCCCOC=O)o1.CCCCc1ccc(OC=O)o1.
What is the InChIKey of (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate?
The InChIKey is AULQVHIHXKOLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3.C9H12O3/c1-2-3-4-6-9-15-11-12-16(19-15)10-7-5-8-13-18-14-17;1-2-3-4-8-5-6-9(12-8)11-7-10/h11-12,14H,2-10,13H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate?
(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate has a molecular weight of 434.57 g/mol, XLogP of 6.45, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate is sourced from PubChem (CID 157234362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).