2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate

C20H36O2 — CID 123993040

IUPAC2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate
SMILESCCCC(C)(C(=O)OC(C)(C)C1CCCCCC1)C1(C)CC1
InChIInChI=1S/C20H36O2/c1-6-13-20(5,19(4)14-15-19)17(21)22-18(2,3)16-11-9-7-8-10-12-16/h16H,6-15H2,1-5H3
InChIKeyFLZLHLOLTDTTBM-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.89
Rot. Bonds6

About 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate

2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate (PubChem CID 123993040) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate.

Molecular Properties

Compound Name2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate
PubChem CID123993040
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate
SMILESCCCC(C)(C(=O)OC(C)(C)C1CCCCCC1)C1(C)CC1
InChIInChI=1S/C20H36O2/c1-6-13-20(5,19(4)14-15-19)17(21)22-18(2,3)16-11-9-7-8-10-12-16/h16H,6-15H2,1-5H3
InChIKeyFLZLHLOLTDTTBM-UHFFFAOYSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylpropan-2-yl 2-tert-butyl-2-methylpentanoate
CID 123782316
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
tert-butyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;methane;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate
CID 158843595
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cyclohexylpentan-2-ol
CID 75245103
[1-(2-cyclohexylpropan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 130305162
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate
CID 123365518
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate?
The IUPAC name of 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate (CID 123993040) is 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate.
What is the SMILES notation for 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate?
The canonical SMILES for 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate is CCCC(C)(C(=O)OC(C)(C)C1CCCCCC1)C1(C)CC1.
What is the InChIKey of 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate?
The InChIKey is FLZLHLOLTDTTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-6-13-20(5,19(4)14-15-19)17(21)22-18(2,3)16-11-9-7-8-10-12-16/h16H,6-15H2,1-5H3.
What are the key properties of 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate?
2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate has a molecular weight of 308.51 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate is sourced from PubChem (CID 123993040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).