ethane;3-methyl-4-pentylfuran

C16H34O — CID 143814936

IUPACethane;3-methyl-4-pentylfuran
SMILESCC.CC.CC.CCCCCc1cocc1C
InChIInChI=1S/C10H16O.3C2H6/c1-3-4-5-6-10-8-11-7-9(10)2;3*1-2/h7-8H,3-6H2,1-2H3;3*1-2H3
InChIKeyCBTYECMETYVJJG-UHFFFAOYSA-N
MW242.45 g/mol
LogP6.40
Rot. Bonds4

About ethane;3-methyl-4-pentylfuran

ethane;3-methyl-4-pentylfuran (PubChem CID 143814936) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is ethane;3-methyl-4-pentylfuran.

Molecular Properties

Compound Nameethane;3-methyl-4-pentylfuran
PubChem CID143814936
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Nameethane;3-methyl-4-pentylfuran
SMILESCC.CC.CC.CCCCCc1cocc1C
InChIInChI=1S/C10H16O.3C2H6/c1-3-4-5-6-10-8-11-7-9(10)2;3*1-2/h7-8H,3-6H2,1-2H3;3*1-2H3
InChIKeyCBTYECMETYVJJG-UHFFFAOYSA-N
XLogP6.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 56.40
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-hexylfuran-3-carbaldehyde
CID 139709564
2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
1-methyl-2-pentylbenzene
CID 524553
3-(4-chlorophenyl)-4-hexylfuran
CID 91587269
3-methyl-4-octylthiophene
CID 22052993
2,5-dimethyl-3-pentylfuran
CID 15522203
2-methyl-3-pentylfuran
CID 12555082
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
1-tert-butyl-2-(2-tert-butyl-5-methyl-4-pentylphenyl)-4-methyl-5-pentylbenzene
CID 175044854
1-heptyl-2,3,5-trimethylbenzene
CID 90943000

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-pentylfuran?
The IUPAC name of ethane;3-methyl-4-pentylfuran (CID 143814936) is ethane;3-methyl-4-pentylfuran.
What is the SMILES notation for ethane;3-methyl-4-pentylfuran?
The canonical SMILES for ethane;3-methyl-4-pentylfuran is CC.CC.CC.CCCCCc1cocc1C.
What is the InChIKey of ethane;3-methyl-4-pentylfuran?
The InChIKey is CBTYECMETYVJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.3C2H6/c1-3-4-5-6-10-8-11-7-9(10)2;3*1-2/h7-8H,3-6H2,1-2H3;3*1-2H3.
What are the key properties of ethane;3-methyl-4-pentylfuran?
ethane;3-methyl-4-pentylfuran has a molecular weight of 242.45 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-pentylfuran is sourced from PubChem (CID 143814936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).