2,5-ditert-butyl-2,5-dihydrofuran

C12H22O — CID 59503420

IUPAC2,5-ditert-butyl-2,5-dihydrofuran
SMILESCC(C)(C)C1C=CC(C(C)(C)C)O1
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-8-10(13-9)12(4,5)6/h7-10H,1-6H3
InChIKeyYQSVFGWOWGFLFK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds

About 2,5-ditert-butyl-2,5-dihydrofuran

2,5-ditert-butyl-2,5-dihydrofuran (PubChem CID 59503420) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-ditert-butyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,5-ditert-butyl-2,5-dihydrofuran
PubChem CID59503420
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,5-ditert-butyl-2,5-dihydrofuran
SMILESCC(C)(C)C1C=CC(C(C)(C)C)O1
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-8-10(13-9)12(4,5)6/h7-10H,1-6H3
InChIKeyYQSVFGWOWGFLFK-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
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
1-Isopropoxy-2,7-octadiene
CID 11286698
2-Propan-2-yl-2,5-dihydrofuran
CID 12507024
1-Ethoxy-4,4-dimethyl-2-pentene
CID 5358351
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
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
3-[(2-Methylpropan-2-yl)oxy]cyclopentene
CID 18541563
(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 59047496

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-2,5-dihydrofuran?
The IUPAC name of 2,5-ditert-butyl-2,5-dihydrofuran (CID 59503420) is 2,5-ditert-butyl-2,5-dihydrofuran.
What is the SMILES notation for 2,5-ditert-butyl-2,5-dihydrofuran?
The canonical SMILES for 2,5-ditert-butyl-2,5-dihydrofuran is CC(C)(C)C1C=CC(C(C)(C)C)O1.
What is the InChIKey of 2,5-ditert-butyl-2,5-dihydrofuran?
The InChIKey is YQSVFGWOWGFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,3)9-7-8-10(13-9)12(4,5)6/h7-10H,1-6H3.
What are the key properties of 2,5-ditert-butyl-2,5-dihydrofuran?
2,5-ditert-butyl-2,5-dihydrofuran has a molecular weight of 182.31 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-2,5-dihydrofuran is sourced from PubChem (CID 59503420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).