2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde

C14H18OS — CID 115040494

IUPAC2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
SMILESCSCC1(c2ccccc2C=O)CCCC1
InChIInChI=1S/C14H18OS/c1-16-11-14(8-4-5-9-14)13-7-3-2-6-12(13)10-15/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyRGCIIDWWZOOZOU-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.67
Rot. Bonds4

About 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde

2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde (PubChem CID 115040494) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde.

Molecular Properties

Compound Name2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
PubChem CID115040494
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
SMILESCSCC1(c2ccccc2C=O)CCCC1
InChIInChI=1S/C14H18OS/c1-16-11-14(8-4-5-9-14)13-7-3-2-6-12(13)10-15/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyRGCIIDWWZOOZOU-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
1-bromo-2-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047981
2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
CID 129216024
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
CID 84723107
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
2-[1-(diethylaminomethyl)cyclobutyl]phenol
CID 115039759
4a-(methylsulfanylmethyl)-1,2,3,4-tetrahydrocarbazole
CID 10443910
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid
CID 70163362
2-[(3S)-3-methoxymorpholin-3-yl]benzaldehyde
CID 171192796
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde?
The IUPAC name of 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde (CID 115040494) is 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde.
What is the SMILES notation for 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde?
The canonical SMILES for 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde is CSCC1(c2ccccc2C=O)CCCC1.
What is the InChIKey of 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde?
The InChIKey is RGCIIDWWZOOZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16-11-14(8-4-5-9-14)13-7-3-2-6-12(13)10-15/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde?
2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde has a molecular weight of 234.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde is sourced from PubChem (CID 115040494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).