hexylsulfanylcyclopentane

C11H22S — CID 534970

IUPAChexylsulfanylcyclopentane
SMILESCCCCCCSC1CCCC1
InChIInChI=1S/C11H22S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11H,2-10H2,1H3
InChIKeyWCNZLOREXFVTDK-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.24
Rot. Bonds6

About hexylsulfanylcyclopentane

hexylsulfanylcyclopentane (PubChem CID 534970) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is hexylsulfanylcyclopentane.

Molecular Properties

Compound Namehexylsulfanylcyclopentane
PubChem CID534970
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Namehexylsulfanylcyclopentane
SMILESCCCCCCSC1CCCC1
InChIInChI=1S/C11H22S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11H,2-10H2,1H3
InChIKeyWCNZLOREXFVTDK-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
octylsulfanylcycloheptane
CID 70441156
butylsulfanylcycloheptane
CID 14970942
4,4-bis(3-cyclohexylsulfanylpropyl)decylsulfanylcyclohexane
CID 167565445
propylsulfanylcyclopentane
CID 534899
4-heptylsulfanylcyclohexan-1-one
CID 138676567
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
4-cyclopentylsulfanyl-N-methylbutan-1-amine
CID 63115700
trans-(1S,2S)-2-tetradecylsulfanylcyclohexan-1-ol
CID 121392157
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
(3S)-3-dodecylsulfanylthiolane 1,1-dioxide
CID 98143387

Frequently Asked Questions

What is the IUPAC name of hexylsulfanylcyclopentane?
The IUPAC name of hexylsulfanylcyclopentane (CID 534970) is hexylsulfanylcyclopentane.
What is the SMILES notation for hexylsulfanylcyclopentane?
The canonical SMILES for hexylsulfanylcyclopentane is CCCCCCSC1CCCC1.
What is the InChIKey of hexylsulfanylcyclopentane?
The InChIKey is WCNZLOREXFVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11H,2-10H2,1H3.
What are the key properties of hexylsulfanylcyclopentane?
hexylsulfanylcyclopentane has a molecular weight of 186.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexylsulfanylcyclopentane is sourced from PubChem (CID 534970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).