2,3-dimethyl-2-pentyl-3H-furan

C11H20O — CID 68870233

IUPAC2,3-dimethyl-2-pentyl-3H-furan
SMILESCCCCCC1(C)OC=CC1C
InChIInChI=1S/C11H20O/c1-4-5-6-8-11(3)10(2)7-9-12-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyMQYPGRJGNVMQAD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

About 2,3-dimethyl-2-pentyl-3H-furan

2,3-dimethyl-2-pentyl-3H-furan (PubChem CID 68870233) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3-dimethyl-2-pentyl-3H-furan.

Molecular Properties

Compound Name2,3-dimethyl-2-pentyl-3H-furan
PubChem CID68870233
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,3-dimethyl-2-pentyl-3H-furan
SMILESCCCCCC1(C)OC=CC1C
InChIInChI=1S/C11H20O/c1-4-5-6-8-11(3)10(2)7-9-12-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyMQYPGRJGNVMQAD-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-pentyl-3H-furan?
The IUPAC name of 2,3-dimethyl-2-pentyl-3H-furan (CID 68870233) is 2,3-dimethyl-2-pentyl-3H-furan.
What is the SMILES notation for 2,3-dimethyl-2-pentyl-3H-furan?
The canonical SMILES for 2,3-dimethyl-2-pentyl-3H-furan is CCCCCC1(C)OC=CC1C.
What is the InChIKey of 2,3-dimethyl-2-pentyl-3H-furan?
The InChIKey is MQYPGRJGNVMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-8-11(3)10(2)7-9-12-11/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-pentyl-3H-furan?
2,3-dimethyl-2-pentyl-3H-furan has a molecular weight of 168.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-pentyl-3H-furan is sourced from PubChem (CID 68870233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).