(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate

C17H30O2 — CID 143336837

IUPAC(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C(=O)OC1CC2CC(C)C1C2)C(C)C
InChIInChI=1S/C17H30O2/c1-10(2)6-14(11(3)4)17(18)19-16-9-13-7-12(5)15(16)8-13/h10-16H,6-9H2,1-5H3
InChIKeyJWIYYEZAIJVIOT-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.28
Rot. Bonds5

About (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate

(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate (PubChem CID 143336837) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate
PubChem CID143336837
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C(=O)OC1CC2CC(C)C1C2)C(C)C
InChIInChI=1S/C17H30O2/c1-10(2)6-14(11(3)4)17(18)19-16-9-13-7-12(5)15(16)8-13/h10-16H,6-9H2,1-5H3
InChIKeyJWIYYEZAIJVIOT-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate?
The IUPAC name of (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate (CID 143336837) is (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate is CC(C)CC(C(=O)OC1CC2CC(C)C1C2)C(C)C.
What is the InChIKey of (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate?
The InChIKey is JWIYYEZAIJVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-10(2)6-14(11(3)4)17(18)19-16-9-13-7-12(5)15(16)8-13/h10-16H,6-9H2,1-5H3.
What are the key properties of (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate?
(6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate has a molecular weight of 266.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-bicyclo[2.2.1]heptanyl) 4-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 143336837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).