(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate

C19H32O2 — CID 123413452

IUPAC(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate
SMILESCCC(CC(C)C)C(=O)OC1(C)C(C)CC23CC2CC1C3
InChIInChI=1S/C19H32O2/c1-6-14(7-12(2)3)17(20)21-18(5)13(4)9-19-10-15(18)8-16(19)11-19/h12-16H,6-11H2,1-5H3
InChIKeyMPJULQNHHVSFCY-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.82
Rot. Bonds5

About (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate

(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate (PubChem CID 123413452) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate.

Molecular Properties

Compound Name(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate
PubChem CID123413452
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate
SMILESCCC(CC(C)C)C(=O)OC1(C)C(C)CC23CC2CC1C3
InChIInChI=1S/C19H32O2/c1-6-14(7-12(2)3)17(20)21-18(5)13(4)9-19-10-15(18)8-16(19)11-19/h12-16H,6-11H2,1-5H3
InChIKeyMPJULQNHHVSFCY-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate?
The IUPAC name of (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate (CID 123413452) is (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate.
What is the SMILES notation for (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate?
The canonical SMILES for (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate is CCC(CC(C)C)C(=O)OC1(C)C(C)CC23CC2CC1C3.
What is the InChIKey of (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate?
The InChIKey is MPJULQNHHVSFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-6-14(7-12(2)3)17(20)21-18(5)13(4)9-19-10-15(18)8-16(19)11-19/h12-16H,6-11H2,1-5H3.
What are the key properties of (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate?
(6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate has a molecular weight of 292.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate is sourced from PubChem (CID 123413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).