cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid

C17H22O2 — CID 7054115

IUPACcis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid
SMILESCC1(C)[C@@H](C=Cc2ccccc2)CC[C@]1(C)C(=O)O
InChIInChI=1S/C17H22O2/c1-16(2)14(11-12-17(16,3)15(18)19)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3,(H,18,19)/t14-,17+/m0/s1
InChIKeyJHNAXAWXCMJBGR-WMLDXEAASA-N
MW258.36 g/mol
LogP4.23
Rot. Bonds3

About cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid (PubChem CID 7054115) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid
PubChem CID7054115
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Namecis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid
SMILESCC1(C)[C@@H](C=Cc2ccccc2)CC[C@]1(C)C(=O)O
InChIInChI=1S/C17H22O2/c1-16(2)14(11-12-17(16,3)15(18)19)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3,(H,18,19)/t14-,17+/m0/s1
InChIKeyJHNAXAWXCMJBGR-WMLDXEAASA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylate
CID 4660169
trans-(1S,3S)-1,2,2-trimethyl-3-[(Z)-2-phenylethenyl]cyclopentane-1-carboxylate
CID 7324820
trans-(1R,3R)-1,2,2-trimethyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde
CID 101452751
cis-(1S,3S)-3-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 124767739
3-phenylprop-2-enoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67727092
cis-(1S,3S)-3-[(1R,2S)-1,2-dibromo-2-phenylethyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 124767936
trans-(1S,3R)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 721280
trans-(1S,3R)-3-[(2-hydroxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 764296
[(E)-2-[(1R,2R)-2-methyl-2-propylcyclopropyl]ethenyl]benzene
CID 10821924
trans-(1S,3R)-1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 91901549
2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
CID 11138716
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid (CID 7054115) is cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid is CC1(C)[C@@H](C=Cc2ccccc2)CC[C@]1(C)C(=O)O.
What is the InChIKey of cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid?
The InChIKey is JHNAXAWXCMJBGR-WMLDXEAASA-N. The full InChI is InChI=1S/C17H22O2/c1-16(2)14(11-12-17(16,3)15(18)19)10-9-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3,(H,18,19)/t14-,17+/m0/s1.
What are the key properties of cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 7054115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).