5-tert-butyl-2,5-dimethyl-2H-furan

C10H18O — CID 69055417

IUPAC5-tert-butyl-2,5-dimethyl-2H-furan
SMILESCC1C=CC(C)(C(C)(C)C)O1
InChIInChI=1S/C10H18O/c1-8-6-7-10(5,11-8)9(2,3)4/h6-8H,1-5H3
InChIKeyYTWAFJLMVRFKAW-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds

About 5-tert-butyl-2,5-dimethyl-2H-furan

5-tert-butyl-2,5-dimethyl-2H-furan (PubChem CID 69055417) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-tert-butyl-2,5-dimethyl-2H-furan.

Molecular Properties

Compound Name5-tert-butyl-2,5-dimethyl-2H-furan
PubChem CID69055417
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-tert-butyl-2,5-dimethyl-2H-furan
SMILESCC1C=CC(C)(C(C)(C)C)O1
InChIInChI=1S/C10H18O/c1-8-6-7-10(5,11-8)9(2,3)4/h6-8H,1-5H3
InChIKeyYTWAFJLMVRFKAW-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cassyrane
CID 11658397
Cassyrane, (2S,5S)-
CID 91980009
Cassyrane, (2S,5R)-
CID 91980008
5-tert-butyl-5-methyl-2H-furan
CID 12507021
5,5-dimethyl-2-propan-2-yl-2H-furan
CID 12507023
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
(2S,5S)-5-tert-butyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 21630662
3-[(2-Methylpropan-2-yl)oxy]cyclopentene
CID 18541563
Neopentyl(diallyl)oxy
CID 129826984
2,5-Ditert-butyl-3-fluoro-2,5-dihydrofuran
CID 172486382
1-Ethoxy-5,5-dimethyl-2-hexene
CID 6420737
2-Tert-butyl-2-isopropyl-5-methyl-2,5-dihydrofuran
CID 69053409

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,5-dimethyl-2H-furan?
The IUPAC name of 5-tert-butyl-2,5-dimethyl-2H-furan (CID 69055417) is 5-tert-butyl-2,5-dimethyl-2H-furan.
What is the SMILES notation for 5-tert-butyl-2,5-dimethyl-2H-furan?
The canonical SMILES for 5-tert-butyl-2,5-dimethyl-2H-furan is CC1C=CC(C)(C(C)(C)C)O1.
What is the InChIKey of 5-tert-butyl-2,5-dimethyl-2H-furan?
The InChIKey is YTWAFJLMVRFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-6-7-10(5,11-8)9(2,3)4/h6-8H,1-5H3.
What are the key properties of 5-tert-butyl-2,5-dimethyl-2H-furan?
5-tert-butyl-2,5-dimethyl-2H-furan has a molecular weight of 154.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,5-dimethyl-2H-furan is sourced from PubChem (CID 69055417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).