2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan

C15H24O — CID 15090482

IUPAC2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan
SMILESC=C(C)Cc1cc(C)oc1CCCCCC
InChIInChI=1S/C15H24O/c1-5-6-7-8-9-15-14(10-12(2)3)11-13(4)16-15/h11H,2,5-10H2,1,3-4H3
InChIKeyQBZZPBUNQBNLTJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.83
Rot. Bonds7

About 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan

2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan (PubChem CID 15090482) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan.

Molecular Properties

Compound Name2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan
PubChem CID15090482
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan
SMILESC=C(C)Cc1cc(C)oc1CCCCCC
InChIInChI=1S/C15H24O/c1-5-6-7-8-9-15-14(10-12(2)3)11-13(4)16-15/h11H,2,5-10H2,1,3-4H3
InChIKeyQBZZPBUNQBNLTJ-UHFFFAOYSA-N
XLogP4.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15522203
methyl 3-heptyl-5-methylfuran-2-carboxylate
CID 14791756
2,3,5-triheptylfuran
CID 165157097
5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
CID 22002978
CID 10793855
CID 10793855
3-decyl-4-hydroxy-6-methylpyran-2-one
CID 86101794
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
1-(2-chloroprop-2-enyl)-4-pentylbenzene
CID 24721931
5-decyl-2-methyl-3-(3-methylbut-3-enyl)benzene-1,4-diol
CID 141154248

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan?
The IUPAC name of 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan (CID 15090482) is 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan.
What is the SMILES notation for 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan?
The canonical SMILES for 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan is C=C(C)Cc1cc(C)oc1CCCCCC.
What is the InChIKey of 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan?
The InChIKey is QBZZPBUNQBNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-7-8-9-15-14(10-12(2)3)11-13(4)16-15/h11H,2,5-10H2,1,3-4H3.
What are the key properties of 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan?
2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan has a molecular weight of 220.36 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan is sourced from PubChem (CID 15090482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).