1-cyclopropyl-2-pentylsulfanylethanone

C10H18OS — CID 107752517

IUPAC1-cyclopropyl-2-pentylsulfanylethanone
SMILESCCCCCSCC(=O)C1CC1
InChIInChI=1S/C10H18OS/c1-2-3-4-7-12-8-10(11)9-5-6-9/h9H,2-8H2,1H3
InChIKeyJOMKTDJTJNTLLP-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.89
Rot. Bonds7

About 1-cyclopropyl-2-pentylsulfanylethanone

1-cyclopropyl-2-pentylsulfanylethanone (PubChem CID 107752517) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-pentylsulfanylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-pentylsulfanylethanone
PubChem CID107752517
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-cyclopropyl-2-pentylsulfanylethanone
SMILESCCCCCSCC(=O)C1CC1
InChIInChI=1S/C10H18OS/c1-2-3-4-7-12-8-10(11)9-5-6-9/h9H,2-8H2,1H3
InChIKeyJOMKTDJTJNTLLP-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-propylsulfanylethanone
CID 63907545
1-cyclopropyl-2-ethylsulfanylethanone
CID 63907128
1-(3,4-dimethylcyclohexyl)-2-propylsulfanylethanone
CID 65129585
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
tetrakis(2-decylsulfanylacetate);tin(4+)
CID 162242326
zinc bis(2-octadecylsulfanylacetate)
CID 87182065
1-[4-(aminomethyl)cyclohexyl]hexan-1-one
CID 116592469
(E)-2-(hexadecylsulfanylmethyl)-3-methylbut-2-enedioic acid
CID 18506017
methyl 2-hexylsulfanylacetate
CID 12820437
2-pentylsulfanylacetohydrazide
CID 107760927
1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid
CID 43092584
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pentylsulfanylethanone?
The IUPAC name of 1-cyclopropyl-2-pentylsulfanylethanone (CID 107752517) is 1-cyclopropyl-2-pentylsulfanylethanone.
What is the SMILES notation for 1-cyclopropyl-2-pentylsulfanylethanone?
The canonical SMILES for 1-cyclopropyl-2-pentylsulfanylethanone is CCCCCSCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-pentylsulfanylethanone?
The InChIKey is JOMKTDJTJNTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-7-12-8-10(11)9-5-6-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-pentylsulfanylethanone?
1-cyclopropyl-2-pentylsulfanylethanone has a molecular weight of 186.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pentylsulfanylethanone is sourced from PubChem (CID 107752517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).