4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol

C8H16OS2 — CID 23238990

IUPAC4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol
SMILESCSC1(SC)CC(O)CC1C
InChIInChI=1S/C8H16OS2/c1-6-4-7(9)5-8(6,10-2)11-3/h6-7,9H,4-5H2,1-3H3
InChIKeyNDCFXXWCEDAJDN-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.20
Rot. Bonds2

About 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol

4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol (PubChem CID 23238990) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol
PubChem CID23238990
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol
SMILESCSC1(SC)CC(O)CC1C
InChIInChI=1S/C8H16OS2/c1-6-4-7(9)5-8(6,10-2)11-3/h6-7,9H,4-5H2,1-3H3
InChIKeyNDCFXXWCEDAJDN-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol?
The IUPAC name of 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol (CID 23238990) is 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol.
What is the SMILES notation for 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol?
The canonical SMILES for 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol is CSC1(SC)CC(O)CC1C.
What is the InChIKey of 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol?
The InChIKey is NDCFXXWCEDAJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-6-4-7(9)5-8(6,10-2)11-3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol?
4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol has a molecular weight of 192.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol is sourced from PubChem (CID 23238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).