(E)-1-hexylsulfanyl-2-methyloct-1-ene

C15H30S — CID 132579848

IUPAC(E)-1-hexylsulfanyl-2-methyloct-1-ene
SMILESCCCCCCS/C=C(\C)CCCCCC
InChIInChI=1S/C15H30S/c1-4-6-8-10-12-15(3)14-16-13-11-9-7-5-2/h14H,4-13H2,1-3H3/b15-14+
InChIKeyRCZXVVZBDZISIE-CCEZHUSRSA-N
MW242.47 g/mol
LogP6.17
Rot. Bonds11

About (E)-1-hexylsulfanyl-2-methyloct-1-ene

(E)-1-hexylsulfanyl-2-methyloct-1-ene (PubChem CID 132579848) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (E)-1-hexylsulfanyl-2-methyloct-1-ene.

Molecular Properties

Compound Name(E)-1-hexylsulfanyl-2-methyloct-1-ene
PubChem CID132579848
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(E)-1-hexylsulfanyl-2-methyloct-1-ene
SMILESCCCCCCS/C=C(\C)CCCCCC
InChIInChI=1S/C15H30S/c1-4-6-8-10-12-15(3)14-16-13-11-9-7-5-2/h14H,4-13H2,1-3H3/b15-14+
InChIKeyRCZXVVZBDZISIE-CCEZHUSRSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 56.17
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-Butylsulfanyloct-1-ene
CID 14952207
2-Butan-2-ylsulfanyloct-1-ene
CID 14952208
1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
2-Octyl-2,3-dihydrothiophene
CID 15482765
1,2-Epithio-3-hexyl-3-butene
CID 57702307
2-Methyl-3,4-epithio-1-nonene
CID 57702328
2-Methylsulfanylnon-1-ene
CID 85970218
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
5-Octyl-2,3-dihydro-1,4-dithiine
CID 11020709
(E)-1-propylsulfanyldec-1-ene
CID 12977961
(E)-1-butylsulfanyloct-1-ene
CID 13468729
1-Methylidene-2-methylsulfanylcyclononane
CID 14529196

Frequently Asked Questions

What is the IUPAC name of (E)-1-hexylsulfanyl-2-methyloct-1-ene?
The IUPAC name of (E)-1-hexylsulfanyl-2-methyloct-1-ene (CID 132579848) is (E)-1-hexylsulfanyl-2-methyloct-1-ene.
What is the SMILES notation for (E)-1-hexylsulfanyl-2-methyloct-1-ene?
The canonical SMILES for (E)-1-hexylsulfanyl-2-methyloct-1-ene is CCCCCCS/C=C(\C)CCCCCC.
What is the InChIKey of (E)-1-hexylsulfanyl-2-methyloct-1-ene?
The InChIKey is RCZXVVZBDZISIE-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H30S/c1-4-6-8-10-12-15(3)14-16-13-11-9-7-5-2/h14H,4-13H2,1-3H3/b15-14+.
What are the key properties of (E)-1-hexylsulfanyl-2-methyloct-1-ene?
(E)-1-hexylsulfanyl-2-methyloct-1-ene has a molecular weight of 242.47 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hexylsulfanyl-2-methyloct-1-ene is sourced from PubChem (CID 132579848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).