(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate

C15H26O2 — CID 130236042

IUPAC(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate
SMILESCC1CC2CCCC(C1)C2(C)OC(=O)C(C)C
InChIInChI=1S/C15H26O2/c1-10(2)14(16)17-15(4)12-6-5-7-13(15)9-11(3)8-12/h10-13H,5-9H2,1-4H3
InChIKeyRCCTXPGEVRUWAG-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.79
Rot. Bonds2

About (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate

(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate (PubChem CID 130236042) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate
PubChem CID130236042
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate
SMILESCC1CC2CCCC(C1)C2(C)OC(=O)C(C)C
InChIInChI=1S/C15H26O2/c1-10(2)14(16)17-15(4)12-6-5-7-13(15)9-11(3)8-12/h10-13H,5-9H2,1-4H3
InChIKeyRCCTXPGEVRUWAG-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate?
The IUPAC name of (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate (CID 130236042) is (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate.
What is the SMILES notation for (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate?
The canonical SMILES for (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate is CC1CC2CCCC(C1)C2(C)OC(=O)C(C)C.
What is the InChIKey of (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate?
The InChIKey is RCCTXPGEVRUWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)14(16)17-15(4)12-6-5-7-13(15)9-11(3)8-12/h10-13H,5-9H2,1-4H3.
What are the key properties of (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate?
(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate has a molecular weight of 238.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate is sourced from PubChem (CID 130236042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).