3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane

C17H30 — CID 123860685

IUPAC3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
SMILESCCCC(C)C1CCC2C1C1C(C)C(CC)C21
InChIInChI=1S/C17H30/c1-5-7-10(3)13-8-9-14-16-12(6-2)11(4)15(16)17(13)14/h10-17H,5-9H2,1-4H3
InChIKeyOQKWJCMRUDSLHM-UHFFFAOYSA-N
MW234.43 g/mol
LogP4.99
Rot. Bonds4

About 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane

3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane (PubChem CID 123860685) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane.

Molecular Properties

Compound Name3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
PubChem CID123860685
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
SMILESCCCC(C)C1CCC2C1C1C(C)C(CC)C21
InChIInChI=1S/C17H30/c1-5-7-10(3)13-8-9-14-16-12(6-2)11(4)15(16)17(13)14/h10-17H,5-9H2,1-4H3
InChIKeyOQKWJCMRUDSLHM-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,2-dimethyl-3-pentan-2-ylcyclopentan-1-amine
CID 107888213
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
CID 144517272
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
4-ethyl-2-methyl-11-propan-2-yl-12-propyltricyclo[6.4.0.03,5]dodecane
CID 91442066
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane?
The IUPAC name of 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane (CID 123860685) is 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane.
What is the SMILES notation for 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane?
The canonical SMILES for 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane is CCCC(C)C1CCC2C1C1C(C)C(CC)C21.
What is the InChIKey of 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane?
The InChIKey is OQKWJCMRUDSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-5-7-10(3)13-8-9-14-16-12(6-2)11(4)15(16)17(13)14/h10-17H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane?
3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane has a molecular weight of 234.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane is sourced from PubChem (CID 123860685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).