2,5-dimethyl-2-propan-2-yl-3H-furan

C9H16O — CID 14463209

IUPAC2,5-dimethyl-2-propan-2-yl-3H-furan
SMILESCC1=CCC(C)(C(C)C)O1
InChIInChI=1S/C9H16O/c1-7(2)9(4)6-5-8(3)10-9/h5,7H,6H2,1-4H3
InChIKeyHXVCRRAPRCROTK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About 2,5-dimethyl-2-propan-2-yl-3H-furan

2,5-dimethyl-2-propan-2-yl-3H-furan (PubChem CID 14463209) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,5-dimethyl-2-propan-2-yl-3H-furan.

Molecular Properties

Compound Name2,5-dimethyl-2-propan-2-yl-3H-furan
PubChem CID14463209
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,5-dimethyl-2-propan-2-yl-3H-furan
SMILESCC1=CCC(C)(C(C)C)O1
InChIInChI=1S/C9H16O/c1-7(2)9(4)6-5-8(3)10-9/h5,7H,6H2,1-4H3
InChIKeyHXVCRRAPRCROTK-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
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-propan-2-yl-3H-furan?
The IUPAC name of 2,5-dimethyl-2-propan-2-yl-3H-furan (CID 14463209) is 2,5-dimethyl-2-propan-2-yl-3H-furan.
What is the SMILES notation for 2,5-dimethyl-2-propan-2-yl-3H-furan?
The canonical SMILES for 2,5-dimethyl-2-propan-2-yl-3H-furan is CC1=CCC(C)(C(C)C)O1.
What is the InChIKey of 2,5-dimethyl-2-propan-2-yl-3H-furan?
The InChIKey is HXVCRRAPRCROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9(4)6-5-8(3)10-9/h5,7H,6H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-propan-2-yl-3H-furan?
2,5-dimethyl-2-propan-2-yl-3H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-propan-2-yl-3H-furan is sourced from PubChem (CID 14463209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).