1-dec-1-enylsulfanyldec-1-ene

C20H38S — CID 174687639

IUPAC1-dec-1-enylsulfanyldec-1-ene
SMILESCCCCCCCCC=CSC=CCCCCCCCC
InChIInChI=1S/C20H38S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyULJMRTICEKINBX-UHFFFAOYSA-N
MW310.59 g/mol
LogP8.25
Rot. Bonds16

About 1-dec-1-enylsulfanyldec-1-ene

1-dec-1-enylsulfanyldec-1-ene (PubChem CID 174687639) has the molecular formula C20H38S and a molecular weight of 310.59 g/mol. Its IUPAC name is 1-dec-1-enylsulfanyldec-1-ene.

Molecular Properties

Compound Name1-dec-1-enylsulfanyldec-1-ene
PubChem CID174687639
Molecular FormulaC20H38S
Molecular Weight310.59 g/mol
Exact Mass310.27
IUPAC Name1-dec-1-enylsulfanyldec-1-ene
SMILESCCCCCCCCC=CSC=CCCCCCCCC
InChIInChI=1S/C20H38S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyULJMRTICEKINBX-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.59
LogP ≤ 58.25
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

2-oct-1-enylsulfanylethenol
CID 151922279
1-methylsulfanyldodec-1-ene
CID 54454895
(Z)-1-methylsulfanyldodec-1-ene
CID 100956908
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
nonacos-6-ene
CID 25200821
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 1-dec-1-enylsulfanyldec-1-ene?
The IUPAC name of 1-dec-1-enylsulfanyldec-1-ene (CID 174687639) is 1-dec-1-enylsulfanyldec-1-ene.
What is the SMILES notation for 1-dec-1-enylsulfanyldec-1-ene?
The canonical SMILES for 1-dec-1-enylsulfanyldec-1-ene is CCCCCCCCC=CSC=CCCCCCCCC.
What is the InChIKey of 1-dec-1-enylsulfanyldec-1-ene?
The InChIKey is ULJMRTICEKINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-dec-1-enylsulfanyldec-1-ene?
1-dec-1-enylsulfanyldec-1-ene has a molecular weight of 310.59 g/mol, XLogP of 8.25, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-enylsulfanyldec-1-ene is sourced from PubChem (CID 174687639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).