5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran

C13H18O — CID 123568848

IUPAC5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran
SMILESC=C(C=CC=CC)C1=CC(C)C(C)O1
InChIInChI=1S/C13H18O/c1-5-6-7-8-10(2)13-9-11(3)12(4)14-13/h5-9,11-12H,2H2,1,3-4H3
InChIKeyIHFOIQLEVRVQSC-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.61
Rot. Bonds3

About 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran

5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran (PubChem CID 123568848) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran.

Molecular Properties

Compound Name5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran
PubChem CID123568848
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran
SMILESC=C(C=CC=CC)C1=CC(C)C(C)O1
InChIInChI=1S/C13H18O/c1-5-6-7-8-10(2)13-9-11(3)12(4)14-13/h5-9,11-12H,2H2,1,3-4H3
InChIKeyIHFOIQLEVRVQSC-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran?
The IUPAC name of 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran (CID 123568848) is 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran.
What is the SMILES notation for 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran?
The canonical SMILES for 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran is C=C(C=CC=CC)C1=CC(C)C(C)O1.
What is the InChIKey of 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran?
The InChIKey is IHFOIQLEVRVQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-6-7-8-10(2)13-9-11(3)12(4)14-13/h5-9,11-12H,2H2,1,3-4H3.
What are the key properties of 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran?
5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran has a molecular weight of 190.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran is sourced from PubChem (CID 123568848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).