ethane;2,2,3,3,4-pentamethyl-5-phenylfuran

C21H38O — CID 91096649

IUPACethane;2,2,3,3,4-pentamethyl-5-phenylfuran
SMILESCC.CC.CC.CC1=C(c2ccccc2)OC(C)(C)C1(C)C
InChIInChI=1S/C15H20O.3C2H6/c1-11-13(12-9-7-6-8-10-12)16-15(4,5)14(11,2)3;3*1-2/h6-10H,1-5H3;3*1-2H3
InChIKeyOZRGMOYTJNJNLQ-UHFFFAOYSA-N
MW306.53 g/mol
LogP7.33
Rot. Bonds1

About ethane;2,2,3,3,4-pentamethyl-5-phenylfuran

ethane;2,2,3,3,4-pentamethyl-5-phenylfuran (PubChem CID 91096649) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is ethane;2,2,3,3,4-pentamethyl-5-phenylfuran.

Molecular Properties

Compound Nameethane;2,2,3,3,4-pentamethyl-5-phenylfuran
PubChem CID91096649
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Nameethane;2,2,3,3,4-pentamethyl-5-phenylfuran
SMILESCC.CC.CC.CC1=C(c2ccccc2)OC(C)(C)C1(C)C
InChIInChI=1S/C15H20O.3C2H6/c1-11-13(12-9-7-6-8-10-12)16-15(4,5)14(11,2)3;3*1-2/h6-10H,1-5H3;3*1-2H3
InChIKeyOZRGMOYTJNJNLQ-UHFFFAOYSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2,2,3,3,4-pentamethyl-5-phenylfuran 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 ethane;2,2,3,3,4-pentamethyl-5-phenylfuran?
The IUPAC name of ethane;2,2,3,3,4-pentamethyl-5-phenylfuran (CID 91096649) is ethane;2,2,3,3,4-pentamethyl-5-phenylfuran.
What is the SMILES notation for ethane;2,2,3,3,4-pentamethyl-5-phenylfuran?
The canonical SMILES for ethane;2,2,3,3,4-pentamethyl-5-phenylfuran is CC.CC.CC.CC1=C(c2ccccc2)OC(C)(C)C1(C)C.
What is the InChIKey of ethane;2,2,3,3,4-pentamethyl-5-phenylfuran?
The InChIKey is OZRGMOYTJNJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O.3C2H6/c1-11-13(12-9-7-6-8-10-12)16-15(4,5)14(11,2)3;3*1-2/h6-10H,1-5H3;3*1-2H3.
What are the key properties of ethane;2,2,3,3,4-pentamethyl-5-phenylfuran?
ethane;2,2,3,3,4-pentamethyl-5-phenylfuran has a molecular weight of 306.53 g/mol, XLogP of 7.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3,3,4-pentamethyl-5-phenylfuran is sourced from PubChem (CID 91096649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).