1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane

C25H46 — CID 123226424

IUPAC1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1C(C)C(C)(CCCCCCC(C)C2(CCCC)CC2)C1C
InChIInChI=1S/C25H46/c1-8-9-16-25(17-18-25)20(4)14-12-10-11-13-15-24(7)21(5)23(19(2)3)22(24)6/h20-23H,2,8-18H2,1,3-7H3
InChIKeyOXTWBKJCXNGRLQ-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.42
Rot. Bonds12

About 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane

1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane (PubChem CID 123226424) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane
PubChem CID123226424
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1C(C)C(C)(CCCCCCC(C)C2(CCCC)CC2)C1C
InChIInChI=1S/C25H46/c1-8-9-16-25(17-18-25)20(4)14-12-10-11-13-15-24(7)21(5)23(19(2)3)22(24)6/h20-23H,2,8-18H2,1,3-7H3
InChIKeyOXTWBKJCXNGRLQ-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane?
The IUPAC name of 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane (CID 123226424) is 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane?
The canonical SMILES for 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane is C=C(C)C1C(C)C(C)(CCCCCCC(C)C2(CCCC)CC2)C1C.
What is the InChIKey of 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane?
The InChIKey is OXTWBKJCXNGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-8-9-16-25(17-18-25)20(4)14-12-10-11-13-15-24(7)21(5)23(19(2)3)22(24)6/h20-23H,2,8-18H2,1,3-7H3.
What are the key properties of 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane?
1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane has a molecular weight of 346.64 g/mol, XLogP of 8.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 123226424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).