2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol

C9H16OS — CID 131226977

IUPAC2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)SCC1=CCCC1
InChIInChI=1S/C9H16OS/c1-8(6-10)11-7-9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeySNYAIFSXBGQKRY-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds4

About 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol

2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol (PubChem CID 131226977) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol
PubChem CID131226977
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)SCC1=CCCC1
InChIInChI=1S/C9H16OS/c1-8(6-10)11-7-9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeySNYAIFSXBGQKRY-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol (CID 131226977) is 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol is CC(CO)SCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol?
The InChIKey is SNYAIFSXBGQKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(6-10)11-7-9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol?
2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 131226977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).