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

C12H22O — CID 140883777

IUPAC5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan
SMILESCC(C)C1=C(C(C)C)C(C)(C)OC1
InChIInChI=1S/C12H22O/c1-8(2)10-7-13-12(5,6)11(10)9(3)4/h8-9H,7H2,1-6H3
InChIKeyCADSUQWXCKFMNR-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds2

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

5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan (PubChem CID 140883777) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan
PubChem CID140883777
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan
SMILESCC(C)C1=C(C(C)C)C(C)(C)OC1
InChIInChI=1S/C12H22O/c1-8(2)10-7-13-12(5,6)11(10)9(3)4/h8-9H,7H2,1-6H3
InChIKeyCADSUQWXCKFMNR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
5-Fluoro-6,6-dimethyl-4-propan-2-yl-2,3-dihydropyran
CID 176585476
6,6-Dimethyl-5-propan-2-yl-2,3-dihydropyran
CID 14593317
2,3,4,5,5-pentamethyl-2H-furan
CID 22910011
4-Methoxy-2,3,5-trimethylhex-2-ene
CID 23385074
3,4-Di(propan-2-yl)-2,5-dihydrofuran
CID 57632404
(4R)-4-methoxy-2,3,5-trimethylhex-2-ene
CID 59039384
2,4-Ditert-butyl-3-propan-2-yl-2,5-dihydrofuran
CID 59616846
3-(2,4-Dimethylpentan-3-ylidene)oxolane
CID 68354003
3-Methyl-4-propan-2-yl-2,5-dihydrofuran
CID 68391828
4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
CID 89027315
5-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 89041219

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan?
The IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan (CID 140883777) is 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan.
What is the SMILES notation for 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan?
The canonical SMILES for 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan is CC(C)C1=C(C(C)C)C(C)(C)OC1.
What is the InChIKey of 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan?
The InChIKey is CADSUQWXCKFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)10-7-13-12(5,6)11(10)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan?
5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,4-di(propan-2-yl)-2H-furan is sourced from PubChem (CID 140883777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).