1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene

C17H30 — CID 123309918

IUPAC1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene
SMILESC=CC(CC(C)C1=C(C)C(C)C1)C(C)(C)CC
InChIInChI=1S/C17H30/c1-8-15(17(6,7)9-2)10-13(4)16-11-12(3)14(16)5/h8,12-13,15H,1,9-11H2,2-7H3
InChIKeyICDXNAFPWRCVSG-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.61
Rot. Bonds6

About 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene

1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene (PubChem CID 123309918) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene.

Molecular Properties

Compound Name1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene
PubChem CID123309918
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene
SMILESC=CC(CC(C)C1=C(C)C(C)C1)C(C)(C)CC
InChIInChI=1S/C17H30/c1-8-15(17(6,7)9-2)10-13(4)16-11-12(3)14(16)5/h8,12-13,15H,1,9-11H2,2-7H3
InChIKeyICDXNAFPWRCVSG-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.61
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-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene?
The IUPAC name of 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene (CID 123309918) is 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene.
What is the SMILES notation for 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene?
The canonical SMILES for 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene is C=CC(CC(C)C1=C(C)C(C)C1)C(C)(C)CC.
What is the InChIKey of 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene?
The InChIKey is ICDXNAFPWRCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-8-15(17(6,7)9-2)10-13(4)16-11-12(3)14(16)5/h8,12-13,15H,1,9-11H2,2-7H3.
What are the key properties of 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene?
1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene has a molecular weight of 234.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-5,5-dimethylheptan-2-yl)-2,3-dimethylcyclobutene is sourced from PubChem (CID 123309918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).