3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan

C12H22O — CID 58201807

IUPAC3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan
SMILESCC(C)C1=C(C(C)C)C(C)(C)CO1
InChIInChI=1S/C12H22O/c1-8(2)10-11(9(3)4)13-7-12(10,5)6/h8-9H,7H2,1-6H3
InChIKeySYNWYOAPRJUJGW-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds2

About 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan

3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan (PubChem CID 58201807) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan.

Molecular Properties

Compound Name3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan
PubChem CID58201807
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan
SMILESCC(C)C1=C(C(C)C)C(C)(C)CO1
InChIInChI=1S/C12H22O/c1-8(2)10-11(9(3)4)13-7-12(10,5)6/h8-9H,7H2,1-6H3
InChIKeySYNWYOAPRJUJGW-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-4-propan-2-yl-2,3-dihydrofuran
CID 129153384
Furan, 4,5-diethyl-2,3-dihydro-2,3-dimethyl-
CID 586894
4,5-Di(propan-2-yl)-2,3-dihydrofuran
CID 22965809
4,5-Ditert-butyl-2-methyl-2,3-dihydrofuran
CID 23592138
4,5-Ditert-butyl-2,3-dihydrofuran
CID 57531847
4,5-ditert-butyl-2,2-dimethyl-3H-furan
CID 57908149
4,5-ditert-butyl-3,3-dimethyl-2H-furan
CID 59129232
4-Tert-butyl-5-propan-2-yl-2,3-dihydrofuran
CID 59506689
3,5-Ditert-butyl-4-propan-2-yl-2,3-dihydrofuran
CID 59616734
2,3-Ditert-butyl-4,5-dimethyl-2,3-dihydrofuran
CID 59908870
2,5-Dimethyl-4-propan-2-yl-2,3-dihydrofuran
CID 67579430
5-Methyl-4-propan-2-yl-2,3-dihydrofuran
CID 68199270

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan?
The IUPAC name of 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan (CID 58201807) is 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan.
What is the SMILES notation for 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan?
The canonical SMILES for 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan is CC(C)C1=C(C(C)C)C(C)(C)CO1.
What is the InChIKey of 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan?
The InChIKey is SYNWYOAPRJUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)10-11(9(3)4)13-7-12(10,5)6/h8-9H,7H2,1-6H3.
What are the key properties of 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan?
3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan is sourced from PubChem (CID 58201807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).