1-(3-tert-butylhepta-1,2-dienyl)cyclohexene

C17H28 — CID 10513782

IUPAC1-(3-tert-butylhepta-1,2-dienyl)cyclohexene
SMILESCCCCC(=C=CC1=CCCCC1)C(C)(C)C
InChIInChI=1S/C17H28/c1-5-6-12-16(17(2,3)4)14-13-15-10-8-7-9-11-15/h10,13H,5-9,11-12H2,1-4H3
InChIKeyUWYFARDVNJRVKS-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.80
Rot. Bonds4

About 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene

1-(3-tert-butylhepta-1,2-dienyl)cyclohexene (PubChem CID 10513782) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene.

Molecular Properties

Compound Name1-(3-tert-butylhepta-1,2-dienyl)cyclohexene
PubChem CID10513782
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-(3-tert-butylhepta-1,2-dienyl)cyclohexene
SMILESCCCCC(=C=CC1=CCCCC1)C(C)(C)C
InChIInChI=1S/C17H28/c1-5-6-12-16(17(2,3)4)14-13-15-10-8-7-9-11-15/h10,13H,5-9,11-12H2,1-4H3
InChIKeyUWYFARDVNJRVKS-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene?
The IUPAC name of 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene (CID 10513782) is 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene.
What is the SMILES notation for 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene?
The canonical SMILES for 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene is CCCCC(=C=CC1=CCCCC1)C(C)(C)C.
What is the InChIKey of 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene?
The InChIKey is UWYFARDVNJRVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-5-6-12-16(17(2,3)4)14-13-15-10-8-7-9-11-15/h10,13H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene?
1-(3-tert-butylhepta-1,2-dienyl)cyclohexene has a molecular weight of 232.41 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylhepta-1,2-dienyl)cyclohexene is sourced from PubChem (CID 10513782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).