2,5-dimethyl-2-propyl-3H-furan

C9H16O — CID 144597527

IUPAC2,5-dimethyl-2-propyl-3H-furan
SMILESCCCC1(C)CC=C(C)O1
InChIInChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h5H,4,6-7H2,1-3H3
InChIKeyVKGWDVJNVAZLMV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.87
Rot. Bonds2

About 2,5-dimethyl-2-propyl-3H-furan

2,5-dimethyl-2-propyl-3H-furan (PubChem CID 144597527) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,5-dimethyl-2-propyl-3H-furan.

Molecular Properties

Compound Name2,5-dimethyl-2-propyl-3H-furan
PubChem CID144597527
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,5-dimethyl-2-propyl-3H-furan
SMILESCCCC1(C)CC=C(C)O1
InChIInChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h5H,4,6-7H2,1-3H3
InChIKeyVKGWDVJNVAZLMV-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-propyl-3H-furan?
The IUPAC name of 2,5-dimethyl-2-propyl-3H-furan (CID 144597527) is 2,5-dimethyl-2-propyl-3H-furan.
What is the SMILES notation for 2,5-dimethyl-2-propyl-3H-furan?
The canonical SMILES for 2,5-dimethyl-2-propyl-3H-furan is CCCC1(C)CC=C(C)O1.
What is the InChIKey of 2,5-dimethyl-2-propyl-3H-furan?
The InChIKey is VKGWDVJNVAZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-9(3)7-5-8(2)10-9/h5H,4,6-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-propyl-3H-furan?
2,5-dimethyl-2-propyl-3H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-propyl-3H-furan is sourced from PubChem (CID 144597527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).