4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde

C15H18O — CID 70686591

IUPAC4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde
SMILESCC1=C(C)[C@@](C)(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10H,8-9H2,1-3H3/t15-/m0/s1
InChIKeyKIWINOWJHFHSJH-HNNXBMFYSA-N
MW214.31 g/mol
LogP3.89
Rot. Bonds2

About 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde

4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde (PubChem CID 70686591) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde
PubChem CID70686591
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde
SMILESCC1=C(C)[C@@](C)(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10H,8-9H2,1-3H3/t15-/m0/s1
InChIKeyKIWINOWJHFHSJH-HNNXBMFYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde
CID 240
Lilial
CID 228987
Cyclamen aldehyde
CID 517827
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
2-Methylbenzaldehyde
CID 10722
2-Benzylideneheptanal
CID 1712058
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
2-Phenylpropanal
CID 7146
2,4,6-Trimethylbenzaldehyde
CID 10254
p-METHYLACETOPHENONE
CID 8500

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde?
The IUPAC name of 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde (CID 70686591) is 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde.
What is the SMILES notation for 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde?
The canonical SMILES for 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde is CC1=C(C)[C@@](C)(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde?
The InChIKey is KIWINOWJHFHSJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10H,8-9H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde?
4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde has a molecular weight of 214.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde is sourced from PubChem (CID 70686591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).