1-butylsulfanylcyclohexene

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
LogP3.98
Rot. Bonds4

About 1-butylsulfanylcyclohexene

1-butylsulfanylcyclohexene (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 Name1-butylsulfanylcyclohexene
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
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.98
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

1-[3-(cyclohexen-1-ylsulfanyl)propyl]pyrrolidine
CID 175926135
1-ethylsulfanylcyclopentene
CID 13244648
1-prop-2-enylsulfanylcyclohexene
CID 118689835
1-butylcyclononene
CID 56981158
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
(1E)-N-butylcycloocten-1-amine
CID 89153703
1-butylperoxycyclohexene
CID 150169078
1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene
CID 7392137
3-pentylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
CID 12764588

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanylcyclohexene?
The IUPAC name of 1-butylsulfanylcyclohexene (CID 10920955) is 1-butylsulfanylcyclohexene.
What is the SMILES notation for 1-butylsulfanylcyclohexene?
The canonical SMILES for 1-butylsulfanylcyclohexene is CCCCSC1=CCCCC1.
What is the InChIKey of 1-butylsulfanylcyclohexene?
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 1-butylsulfanylcyclohexene?
1-butylsulfanylcyclohexene has a molecular weight of 170.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanylcyclohexene is sourced from PubChem (CID 10920955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).