2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran

C14H24O — CID 87433591

IUPAC2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran
SMILESCC(C)CC1(C)C#CC(C)(CC(C)C)O1
InChIInChI=1S/C14H24O/c1-11(2)9-13(5)7-8-14(6,15-13)10-12(3)4/h11-12H,9-10H2,1-6H3
InChIKeyGUNUQDPJFZIAIF-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.63
Rot. Bonds4

About 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran

2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran (PubChem CID 87433591) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran.

Molecular Properties

Compound Name2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran
PubChem CID87433591
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran
SMILESCC(C)CC1(C)C#CC(C)(CC(C)C)O1
InChIInChI=1S/C14H24O/c1-11(2)9-13(5)7-8-14(6,15-13)10-12(3)4/h11-12H,9-10H2,1-6H3
InChIKeyGUNUQDPJFZIAIF-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran?
The IUPAC name of 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran (CID 87433591) is 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran.
What is the SMILES notation for 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran?
The canonical SMILES for 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran is CC(C)CC1(C)C#CC(C)(CC(C)C)O1.
What is the InChIKey of 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran?
The InChIKey is GUNUQDPJFZIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)9-13(5)7-8-14(6,15-13)10-12(3)4/h11-12H,9-10H2,1-6H3.
What are the key properties of 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran?
2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran has a molecular weight of 208.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran is sourced from PubChem (CID 87433591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).