5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan

C12H20O — CID 596568

IUPAC5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan
SMILESC=C(C)C1C=C(C(C)C)C(C)(C)O1
InChIInChI=1S/C12H20O/c1-8(2)10-7-11(9(3)4)13-12(10,5)6/h7-8,11H,3H2,1-2,4-6H3
InChIKeyCLUPGZSGAYZSJD-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.32
Rot. Bonds2

About 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan

5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan (PubChem CID 596568) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan
PubChem CID596568
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan
SMILESC=C(C)C1C=C(C(C)C)C(C)(C)O1
InChIInChI=1S/C12H20O/c1-8(2)10-7-11(9(3)4)13-12(10,5)6/h7-8,11H,3H2,1-2,4-6H3
InChIKeyCLUPGZSGAYZSJD-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan?
The IUPAC name of 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan (CID 596568) is 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan.
What is the SMILES notation for 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan?
The canonical SMILES for 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan is C=C(C)C1C=C(C(C)C)C(C)(C)O1.
What is the InChIKey of 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan?
The InChIKey is CLUPGZSGAYZSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8(2)10-7-11(9(3)4)13-12(10,5)6/h7-8,11H,3H2,1-2,4-6H3.
What are the key properties of 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan?
5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan has a molecular weight of 180.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propan-2-yl-2-prop-1-en-2-yl-2H-furan is sourced from PubChem (CID 596568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).