(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate

C18H30O2 — CID 23562007

IUPAC(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(CC)C2CC3CCC(C2)C1C3
InChIInChI=1S/C18H30O2/c1-5-17(3,4)16(19)20-18(6-2)14-9-12-7-8-13(11-14)15(18)10-12/h12-15H,5-11H2,1-4H3
InChIKeyLNSDNGGAXSCRFH-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.57
Rot. Bonds4

About (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate

(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate (PubChem CID 23562007) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate
PubChem CID23562007
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(CC)C2CC3CCC(C2)C1C3
InChIInChI=1S/C18H30O2/c1-5-17(3,4)16(19)20-18(6-2)14-9-12-7-8-13(11-14)15(18)10-12/h12-15H,5-11H2,1-4H3
InChIKeyLNSDNGGAXSCRFH-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate?
The IUPAC name of (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate (CID 23562007) is (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate?
The canonical SMILES for (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(CC)C2CC3CCC(C2)C1C3.
What is the InChIKey of (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate?
The InChIKey is LNSDNGGAXSCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-17(3,4)16(19)20-18(6-2)14-9-12-7-8-13(11-14)15(18)10-12/h12-15H,5-11H2,1-4H3.
What are the key properties of (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate?
(9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate has a molecular weight of 278.44 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 (9-ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 23562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).