(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

C24H42O2 — CID 123340899

IUPAC(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC1(OC(=O)C(C)(CC(C)C)C(C)(C)CC)C(C)CC23CC2CC1C3
InChIInChI=1S/C24H42O2/c1-9-21(6,7)22(8,12-16(3)4)20(25)26-24(10-2)17(5)13-23-14-18(23)11-19(24)15-23/h16-19H,9-15H2,1-8H3
InChIKeyFTNCTDUEHSZGOA-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.62
Rot. Bonds7

About (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (PubChem CID 123340899) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Name(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
PubChem CID123340899
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC1(OC(=O)C(C)(CC(C)C)C(C)(C)CC)C(C)CC23CC2CC1C3
InChIInChI=1S/C24H42O2/c1-9-21(6,7)22(8,12-16(3)4)20(25)26-24(10-2)17(5)13-23-14-18(23)11-19(24)15-23/h16-19H,9-15H2,1-8H3
InChIKeyFTNCTDUEHSZGOA-UHFFFAOYSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (CID 123340899) is (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is CCC1(OC(=O)C(C)(CC(C)C)C(C)(C)CC)C(C)CC23CC2CC1C3.
What is the InChIKey of (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The InChIKey is FTNCTDUEHSZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-9-21(6,7)22(8,12-16(3)4)20(25)26-24(10-2)17(5)13-23-14-18(23)11-19(24)15-23/h16-19H,9-15H2,1-8H3.
What are the key properties of (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
(6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate has a molecular weight of 362.60 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 123340899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).