1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate

C22H42O2 — CID 153074593

IUPAC1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate
SMILESCC(CC1(C)CCC(C)C1(C)C)OC(=O)C(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C22H42O2/c1-15-12-13-22(11,21(15,9)10)14-16(2)24-18(23)20(7,8)17(3)19(4,5)6/h15-17H,12-14H2,1-11H3
InChIKeyVMASKNWYKVIXGX-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.48
Rot. Bonds5

About 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate

1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate (PubChem CID 153074593) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate.

Molecular Properties

Compound Name1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate
PubChem CID153074593
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate
SMILESCC(CC1(C)CCC(C)C1(C)C)OC(=O)C(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C22H42O2/c1-15-12-13-22(11,21(15,9)10)14-16(2)24-18(23)20(7,8)17(3)19(4,5)6/h15-17H,12-14H2,1-11H3
InChIKeyVMASKNWYKVIXGX-UHFFFAOYSA-N
XLogP6.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
1-O-[[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] 2-O-[[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methyl] benzene-1,2-dicarboxylate
CID 162882025
1-O-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] 2-O-[[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] benzene-1,2-dicarboxylate
CID 7054254
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
1-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate
CID 59805445
1-[1-(1,2-dimethylcyclohexyl)ethoxy]-2-methylpropan-1-ol;propanoic acid
CID 175425257
[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]methyl (1S,2R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 98102575
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782
butan-2-yl 2-amino-2-cyclopropylpropanoate
CID 60904237
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methyl 4-nitrobenzoate
CID 7054211

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate?
The IUPAC name of 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate (CID 153074593) is 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate.
What is the SMILES notation for 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate?
The canonical SMILES for 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate is CC(CC1(C)CCC(C)C1(C)C)OC(=O)C(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate?
The InChIKey is VMASKNWYKVIXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-15-12-13-22(11,21(15,9)10)14-16(2)24-18(23)20(7,8)17(3)19(4,5)6/h15-17H,12-14H2,1-11H3.
What are the key properties of 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate?
1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate has a molecular weight of 338.58 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3-tetramethylcyclopentyl)propan-2-yl 2,2,3,4,4-pentamethylpentanoate is sourced from PubChem (CID 153074593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).