trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate

C10H17O2- — CID 7054090

IUPACtrans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
SMILESC[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C
InChIInChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/p-1/t7-,10+/m0/s1
InChIKeyJDFOIACPOPEQLS-OIBJUYFYSA-M
MW169.24 g/mol
LogP1.20
Rot. Bonds1

About trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate

trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate (PubChem CID 7054090) has the molecular formula C10H17O2- and a molecular weight of 169.24 g/mol. Its IUPAC name is trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
PubChem CID7054090
Molecular FormulaC10H17O2-
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Nametrans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
SMILESC[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C
InChIInChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/p-1/t7-,10+/m0/s1
InChIKeyJDFOIACPOPEQLS-OIBJUYFYSA-M
XLogP1.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
CID 2750729
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
CID 130030129
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
sodium 3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23674493
cis-(1S,3S)-3-(bromomethyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7053976
3-hydroxy-1,3-bis(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-one
CID 2724557
[2-oxo-2-(1,2,2,3-tetramethylcyclopentyl)ethyl] acetate
CID 2750743
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
3-(tert-butylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 4675095
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate?
The IUPAC name of trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate (CID 7054090) is trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate?
The canonical SMILES for trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate is C[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C.
What is the InChIKey of trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate?
The InChIKey is JDFOIACPOPEQLS-OIBJUYFYSA-M. The full InChI is InChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/p-1/t7-,10+/m0/s1.
What are the key properties of trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate?
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate has a molecular weight of 169.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate is sourced from PubChem (CID 7054090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).