2-(3-methylhexyl)furan

C11H18O — CID 12840321

IUPAC2-(3-methylhexyl)furan
SMILESCCCC(C)CCc1ccco1
InChIInChI=1S/C11H18O/c1-3-5-10(2)7-8-11-6-4-9-12-11/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyIBYFDIFMYVVQLH-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-methylhexyl)furan

2-(3-methylhexyl)furan (PubChem CID 12840321) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(3-methylhexyl)furan.

Molecular Properties

Compound Name2-(3-methylhexyl)furan
PubChem CID12840321
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(3-methylhexyl)furan
SMILESCCCC(C)CCc1ccco1
InChIInChI=1S/C11H18O/c1-3-5-10(2)7-8-11-6-4-9-12-11/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyIBYFDIFMYVVQLH-UHFFFAOYSA-N
XLogP3.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
2-(6-methyloctyl)furan
CID 86091629
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N'-[4-(furan-2-yl)butan-2-yl]butanimidamide
CID 63177351
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylhexyl)furan?
The IUPAC name of 2-(3-methylhexyl)furan (CID 12840321) is 2-(3-methylhexyl)furan.
What is the SMILES notation for 2-(3-methylhexyl)furan?
The canonical SMILES for 2-(3-methylhexyl)furan is CCCC(C)CCc1ccco1.
What is the InChIKey of 2-(3-methylhexyl)furan?
The InChIKey is IBYFDIFMYVVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-10(2)7-8-11-6-4-9-12-11/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(3-methylhexyl)furan?
2-(3-methylhexyl)furan has a molecular weight of 166.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhexyl)furan is sourced from PubChem (CID 12840321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).