2,3,5-triheptylfuran

C25H46O — CID 165157097

IUPAC2,3,5-triheptylfuran
SMILESCCCCCCCc1cc(CCCCCCC)c(CCCCCCC)o1
InChIInChI=1S/C25H46O/c1-4-7-10-13-16-19-23-22-24(20-17-14-11-8-5-2)26-25(23)21-18-15-12-9-6-3/h22H,4-21H2,1-3H3
InChIKeyLEZCROPXRGJJBS-UHFFFAOYSA-N
MW362.64 g/mol
LogP8.82
Rot. Bonds18

About 2,3,5-triheptylfuran

2,3,5-triheptylfuran (PubChem CID 165157097) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 2,3,5-triheptylfuran.

Molecular Properties

Compound Name2,3,5-triheptylfuran
PubChem CID165157097
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name2,3,5-triheptylfuran
SMILESCCCCCCCc1cc(CCCCCCC)c(CCCCCCC)o1
InChIInChI=1S/C25H46O/c1-4-7-10-13-16-19-23-22-24(20-17-14-11-8-5-2)26-25(23)21-18-15-12-9-6-3/h22H,4-21H2,1-3H3
InChIKeyLEZCROPXRGJJBS-UHFFFAOYSA-N
XLogP8.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2,5-dibutylfuran-3-carbaldehyde
CID 135080458
2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368
2-decyl-1-benzofuran
CID 15365265
4,5-didecylbenzene-1,2-diol
CID 15667809
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
2,5-dimethyl-3-pentylfuran
CID 15522203
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
3,6-dihexyl-4-hydroxypyran-2-one
CID 54690712
2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan
CID 15090482
3-[2,5-dihexyl-4-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 10546083

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triheptylfuran?
The IUPAC name of 2,3,5-triheptylfuran (CID 165157097) is 2,3,5-triheptylfuran.
What is the SMILES notation for 2,3,5-triheptylfuran?
The canonical SMILES for 2,3,5-triheptylfuran is CCCCCCCc1cc(CCCCCCC)c(CCCCCCC)o1.
What is the InChIKey of 2,3,5-triheptylfuran?
The InChIKey is LEZCROPXRGJJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-4-7-10-13-16-19-23-22-24(20-17-14-11-8-5-2)26-25(23)21-18-15-12-9-6-3/h22H,4-21H2,1-3H3.
What are the key properties of 2,3,5-triheptylfuran?
2,3,5-triheptylfuran has a molecular weight of 362.64 g/mol, XLogP of 8.82, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triheptylfuran is sourced from PubChem (CID 165157097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).