3,3-di(propan-2-yl)-2H-furan

C10H18O — CID 58055980

IUPAC3,3-di(propan-2-yl)-2H-furan
SMILESCC(C)C1(C(C)C)C=COC1
InChIInChI=1S/C10H18O/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3
InChIKeySTXADOVJCQIEBH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.83
Rot. Bonds2

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

3,3-di(propan-2-yl)-2H-furan (PubChem CID 58055980) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2H-furan.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2H-furan
PubChem CID58055980
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3,3-di(propan-2-yl)-2H-furan
SMILESCC(C)C1(C(C)C)C=COC1
InChIInChI=1S/C10H18O/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3
InChIKeySTXADOVJCQIEBH-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-di(propan-2-yl)-2H-furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2H-furan?
The IUPAC name of 3,3-di(propan-2-yl)-2H-furan (CID 58055980) is 3,3-di(propan-2-yl)-2H-furan.
What is the SMILES notation for 3,3-di(propan-2-yl)-2H-furan?
The canonical SMILES for 3,3-di(propan-2-yl)-2H-furan is CC(C)C1(C(C)C)C=COC1.
What is the InChIKey of 3,3-di(propan-2-yl)-2H-furan?
The InChIKey is STXADOVJCQIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2H-furan?
3,3-di(propan-2-yl)-2H-furan has a molecular weight of 154.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2H-furan is sourced from PubChem (CID 58055980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).