2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate

C24H40O2 — CID 123554723

IUPAC2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
SMILESCC1CC1(CC(C)(C)C)C(=O)OC(C)(C)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C24H40O2/c1-16-11-24(16,15-21(2,3)4)20(25)26-22(5,6)23-12-17-7-8-18(13-23)10-19(9-17)14-23/h16-19H,7-15H2,1-6H3
InChIKeyAHHKVVMBJFWEOD-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.38
Rot. Bonds4

About 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate

2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 123554723) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
PubChem CID123554723
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate
SMILESCC1CC1(CC(C)(C)C)C(=O)OC(C)(C)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C24H40O2/c1-16-11-24(16,15-21(2,3)4)20(25)26-22(5,6)23-12-17-7-8-18(13-23)10-19(9-17)14-23/h16-19H,7-15H2,1-6H3
InChIKeyAHHKVVMBJFWEOD-UHFFFAOYSA-N
XLogP6.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate (CID 123554723) is 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate is CC1CC1(CC(C)(C)C)C(=O)OC(C)(C)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is AHHKVVMBJFWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-16-11-24(16,15-21(2,3)4)20(25)26-22(5,6)23-12-17-7-8-18(13-23)10-19(9-17)14-23/h16-19H,7-15H2,1-6H3.
What are the key properties of 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate?
2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 360.58 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tricyclo[4.3.1.13,8]undecanyl)propan-2-yl 1-(2,2-dimethylpropyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 123554723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).