1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane

C15H26 — CID 90917388

IUPAC1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane
SMILESC=CC(C)(C)CC1CC1C(=C)CCCC
InChIInChI=1S/C15H26/c1-6-8-9-12(3)14-10-13(14)11-15(4,5)7-2/h7,13-14H,2-3,6,8-11H2,1,4-5H3
InChIKeyPWFHBBVFFLRRJJ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds7

About 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane

1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane (PubChem CID 90917388) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane
PubChem CID90917388
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane
SMILESC=CC(C)(C)CC1CC1C(=C)CCCC
InChIInChI=1S/C15H26/c1-6-8-9-12(3)14-10-13(14)11-15(4,5)7-2/h7,13-14H,2-3,6,8-11H2,1,4-5H3
InChIKeyPWFHBBVFFLRRJJ-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane?
The IUPAC name of 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane (CID 90917388) is 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane.
What is the SMILES notation for 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane?
The canonical SMILES for 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane is C=CC(C)(C)CC1CC1C(=C)CCCC.
What is the InChIKey of 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane?
The InChIKey is PWFHBBVFFLRRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-6-8-9-12(3)14-10-13(14)11-15(4,5)7-2/h7,13-14H,2-3,6,8-11H2,1,4-5H3.
What are the key properties of 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane?
1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane has a molecular weight of 206.37 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbut-3-enyl)-2-hex-1-en-2-ylcyclopropane is sourced from PubChem (CID 90917388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).