Dhwyccuuwkegof-uhfffaoysa-

C10H18S — CID 10920955

IUPAC1-butylsulfanylcyclohexene
SMILESCCCCSC1=CCCCC1
InChIInChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3
InChIKeyDHWYCCUUWKEGOF-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.80
Rot. Bonds4

About Dhwyccuuwkegof-uhfffaoysa-

Dhwyccuuwkegof-uhfffaoysa- (PubChem CID 10920955) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-butylsulfanylcyclohexene.

Molecular Properties

Compound NameDhwyccuuwkegof-uhfffaoysa-
PubChem CID10920955
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1-butylsulfanylcyclohexene
SMILESCCCCSC1=CCCCC1
InChIInChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3
InChIKeyDHWYCCUUWKEGOF-UHFFFAOYSA-N
XLogP3.80
TPSA25.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of Dhwyccuuwkegof-uhfffaoysa-?
The IUPAC name of Dhwyccuuwkegof-uhfffaoysa- (CID 10920955) is 1-butylsulfanylcyclohexene.
What is the SMILES notation for Dhwyccuuwkegof-uhfffaoysa-?
The canonical SMILES for Dhwyccuuwkegof-uhfffaoysa- is CCCCSC1=CCCCC1.
What is the InChIKey of Dhwyccuuwkegof-uhfffaoysa-?
The InChIKey is DHWYCCUUWKEGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3.
What are the key properties of Dhwyccuuwkegof-uhfffaoysa-?
Dhwyccuuwkegof-uhfffaoysa- has a molecular weight of 170.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dhwyccuuwkegof-uhfffaoysa- is sourced from PubChem (CID 10920955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).