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

C9H16O — CID 12507023

IUPAC5,5-dimethyl-2-propan-2-yl-2H-furan
SMILESCC(C)C1C=CC(C)(C)O1
InChIInChI=1S/C9H16O/c1-7(2)8-5-6-9(3,4)10-8/h5-8H,1-4H3
InChIKeyGOVDWBXDRVNTQW-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

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

5,5-dimethyl-2-propan-2-yl-2H-furan (PubChem CID 12507023) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-2H-furan
PubChem CID12507023
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5,5-dimethyl-2-propan-2-yl-2H-furan
SMILESCC(C)C1C=CC(C)(C)O1
InChIInChI=1S/C9H16O/c1-7(2)8-5-6-9(3,4)10-8/h5-8H,1-4H3
InChIKeyGOVDWBXDRVNTQW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-2H-furan?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-2H-furan (CID 12507023) is 5,5-dimethyl-2-propan-2-yl-2H-furan.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-2H-furan?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-2H-furan is CC(C)C1C=CC(C)(C)O1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-2H-furan?
The InChIKey is GOVDWBXDRVNTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)8-5-6-9(3,4)10-8/h5-8H,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-2H-furan?
5,5-dimethyl-2-propan-2-yl-2H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-2H-furan is sourced from PubChem (CID 12507023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).