cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

C10H18O2 — CID 7054089

IUPACcis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
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)/t7-,10-/m0/s1
InChIKeyJDFOIACPOPEQLS-XVKPBYJWSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds1

About cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid

cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (PubChem CID 7054089) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
PubChem CID7054089
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
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)/t7-,10-/m0/s1
InChIKeyJDFOIACPOPEQLS-XVKPBYJWSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid (CID 7054089) is cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is C[C@H]1CC[C@@](C)(C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
The InChIKey is JDFOIACPOPEQLS-XVKPBYJWSA-N. 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)/t7-,10-/m0/s1.
What are the key properties of cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid?
cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 7054089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).