2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate

C19H30O2 — CID 163601254

IUPAC2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC4CC(C1)C43C2
InChIInChI=1S/C19H30O2/c1-6-16(2,3)15(20)21-17(4,5)18-9-13-7-12-8-14(10-18)19(12,13)11-18/h12-14H,6-11H2,1-5H3
InChIKeyGXVRSJMBAIRENF-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.57
Rot. Bonds4

About 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate

2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 163601254) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate
PubChem CID163601254
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC4CC(C1)C43C2
InChIInChI=1S/C19H30O2/c1-6-16(2,3)15(20)21-17(4,5)18-9-13-7-12-8-14(10-18)19(12,13)11-18/h12-14H,6-11H2,1-5H3
InChIKeyGXVRSJMBAIRENF-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate (CID 163601254) is 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC4CC(C1)C43C2.
What is the InChIKey of 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is GXVRSJMBAIRENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-16(2,3)15(20)21-17(4,5)18-9-13-7-12-8-14(10-18)19(12,13)11-18/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate?
2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 290.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 163601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).