trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid

C10H16O2 — CID 59110765

IUPACtrans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@@](C)(C(=O)O)[C@@H](C)C1C
InChIInChI=1S/C10H16O2/c1-6-5-10(4,9(11)12)8(3)7(6)2/h7-8H,1,5H2,2-4H3,(H,11,12)/t7?,8-,10+/m0/s1
InChIKeyUZKMURIWLJPPEP-DXEWVWIPSA-N
MW168.24 g/mol
LogP2.31
Rot. Bonds1

About trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid

trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 59110765) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID59110765
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametrans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@@](C)(C(=O)O)[C@@H](C)C1C
InChIInChI=1S/C10H16O2/c1-6-5-10(4,9(11)12)8(3)7(6)2/h7-8H,1,5H2,2-4H3,(H,11,12)/t7?,8-,10+/m0/s1
InChIKeyUZKMURIWLJPPEP-DXEWVWIPSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 54380301
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
CID 130685696
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571
2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane
CID 20644999
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
(5S,8R,9S)-1,2,8,9-tetramethyl-7-methylidenespiro[4.4]nonane-4-thione
CID 54519666
1,2,3,4-tetramethylcyclobutane-1,2-dicarboxylic acid
CID 130020433
6-(hydroxymethyl)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 14471683
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262168
(1S,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulene-1-carboxylic acid
CID 102342706

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid (CID 59110765) is trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid is C=C1C[C@@](C)(C(=O)O)[C@@H](C)C1C.
What is the InChIKey of trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is UZKMURIWLJPPEP-DXEWVWIPSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-5-10(4,9(11)12)8(3)7(6)2/h7-8H,1,5H2,2-4H3,(H,11,12)/t7?,8-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid?
trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 59110765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).