1-cycloheptyl-2-propan-2-ylidenecycloheptane

C17H30 — CID 21463896

IUPAC1-cycloheptyl-2-propan-2-ylidenecycloheptane
SMILESCC(C)=C1CCCCCC1C1CCCCCC1
InChIInChI=1S/C17H30/c1-14(2)16-12-8-5-9-13-17(16)15-10-6-3-4-7-11-15/h15,17H,3-13H2,1-2H3
InChIKeyDBQFHLKSIKYQOJ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.87
Rot. Bonds1

About 1-cycloheptyl-2-propan-2-ylidenecycloheptane

1-cycloheptyl-2-propan-2-ylidenecycloheptane (PubChem CID 21463896) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-cycloheptyl-2-propan-2-ylidenecycloheptane.

Molecular Properties

Compound Name1-cycloheptyl-2-propan-2-ylidenecycloheptane
PubChem CID21463896
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-cycloheptyl-2-propan-2-ylidenecycloheptane
SMILESCC(C)=C1CCCCCC1C1CCCCCC1
InChIInChI=1S/C17H30/c1-14(2)16-12-8-5-9-13-17(16)15-10-6-3-4-7-11-15/h15,17H,3-13H2,1-2H3
InChIKeyDBQFHLKSIKYQOJ-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.87
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-cycloheptyl-2-propan-2-ylidenecycloheptane?
The IUPAC name of 1-cycloheptyl-2-propan-2-ylidenecycloheptane (CID 21463896) is 1-cycloheptyl-2-propan-2-ylidenecycloheptane.
What is the SMILES notation for 1-cycloheptyl-2-propan-2-ylidenecycloheptane?
The canonical SMILES for 1-cycloheptyl-2-propan-2-ylidenecycloheptane is CC(C)=C1CCCCCC1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-propan-2-ylidenecycloheptane?
The InChIKey is DBQFHLKSIKYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-14(2)16-12-8-5-9-13-17(16)15-10-6-3-4-7-11-15/h15,17H,3-13H2,1-2H3.
What are the key properties of 1-cycloheptyl-2-propan-2-ylidenecycloheptane?
1-cycloheptyl-2-propan-2-ylidenecycloheptane has a molecular weight of 234.43 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-propan-2-ylidenecycloheptane is sourced from PubChem (CID 21463896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).