10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene

C18H26 — CID 101428542

IUPAC10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene
SMILESCCCCC1=CC2(CC2)C2(CC2)C(=C2CC2)CC1
InChIInChI=1S/C18H26/c1-2-3-4-14-5-8-16(15-6-7-15)18(11-12-18)17(13-14)9-10-17/h13H,2-12H2,1H3
InChIKeyYLSVYZVXBGCAST-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.55
Rot. Bonds3

About 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene

10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene (PubChem CID 101428542) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene.

Molecular Properties

Compound Name10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene
PubChem CID101428542
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene
SMILESCCCCC1=CC2(CC2)C2(CC2)C(=C2CC2)CC1
InChIInChI=1S/C18H26/c1-2-3-4-14-5-8-16(15-6-7-15)18(11-12-18)17(13-14)9-10-17/h13H,2-12H2,1H3
InChIKeyYLSVYZVXBGCAST-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.55
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 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene?
The IUPAC name of 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene (CID 101428542) is 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene.
What is the SMILES notation for 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene?
The canonical SMILES for 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene is CCCCC1=CC2(CC2)C2(CC2)C(=C2CC2)CC1.
What is the InChIKey of 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene?
The InChIKey is YLSVYZVXBGCAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-2-3-4-14-5-8-16(15-6-7-15)18(11-12-18)17(13-14)9-10-17/h13H,2-12H2,1H3.
What are the key properties of 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene?
10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene has a molecular weight of 242.41 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-7-cyclopropylidenedispiro[2.0.24.53]undec-10-ene is sourced from PubChem (CID 101428542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).