[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate

C17H28O2 — CID 71130187

IUPAC[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(C)(C)C1C2CCCC3(C2)CC13
InChIInChI=1S/C17H28O2/c1-11(18)19-16(4,5)15(2,3)14-12-7-6-8-17(9-12)10-13(14)17/h12-14H,6-10H2,1-5H3
InChIKeyOEQNXHBJTUDPKX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.18
Rot. Bonds3

About [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate

[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate (PubChem CID 71130187) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate.

Molecular Properties

Compound Name[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate
PubChem CID71130187
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(C)(C)C1C2CCCC3(C2)CC13
InChIInChI=1S/C17H28O2/c1-11(18)19-16(4,5)15(2,3)14-12-7-6-8-17(9-12)10-13(14)17/h12-14H,6-10H2,1-5H3
InChIKeyOEQNXHBJTUDPKX-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate?
The IUPAC name of [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate (CID 71130187) is [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate.
What is the SMILES notation for [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate?
The canonical SMILES for [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate is CC(=O)OC(C)(C)C(C)(C)C1C2CCCC3(C2)CC13.
What is the InChIKey of [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate?
The InChIKey is OEQNXHBJTUDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(18)19-16(4,5)15(2,3)14-12-7-6-8-17(9-12)10-13(14)17/h12-14H,6-10H2,1-5H3.
What are the key properties of [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate?
[2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate has a molecular weight of 264.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate is sourced from PubChem (CID 71130187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).