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

C12H22O — CID 72620786

IUPAC2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan
SMILESCC1=C(C(C)C)OC(C)(C(C)C)C1
InChIInChI=1S/C12H22O/c1-8(2)11-10(5)7-12(6,13-11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyHXJZNEQWQHLCEC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds2

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

2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan (PubChem CID 72620786) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan.

Molecular Properties

Compound Name2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan
PubChem CID72620786
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan
SMILESCC1=C(C(C)C)OC(C)(C(C)C)C1
InChIInChI=1S/C12H22O/c1-8(2)11-10(5)7-12(6,13-11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyHXJZNEQWQHLCEC-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan?
The IUPAC name of 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan (CID 72620786) is 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan.
What is the SMILES notation for 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan?
The canonical SMILES for 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan is CC1=C(C(C)C)OC(C)(C(C)C)C1.
What is the InChIKey of 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan?
The InChIKey is HXJZNEQWQHLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)11-10(5)7-12(6,13-11)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan?
2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,5-di(propan-2-yl)-3H-furan is sourced from PubChem (CID 72620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).