2-(ethylsulfanylmethyl)hept-1-ene

C10H20S — CID 89243673

IUPAC2-(ethylsulfanylmethyl)hept-1-ene
SMILESC=C(CCCCC)CSCC
InChIInChI=1S/C10H20S/c1-4-6-7-8-10(3)9-11-5-2/h3-9H2,1-2H3
InChIKeyJZKHWJLYDAZHMS-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds7

About 2-(ethylsulfanylmethyl)hept-1-ene

2-(ethylsulfanylmethyl)hept-1-ene (PubChem CID 89243673) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)hept-1-ene.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)hept-1-ene
PubChem CID89243673
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-(ethylsulfanylmethyl)hept-1-ene
SMILESC=C(CCCCC)CSCC
InChIInChI=1S/C10H20S/c1-4-6-7-8-10(3)9-11-5-2/h3-9H2,1-2H3
InChIKeyJZKHWJLYDAZHMS-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)hept-1-ene?
The IUPAC name of 2-(ethylsulfanylmethyl)hept-1-ene (CID 89243673) is 2-(ethylsulfanylmethyl)hept-1-ene.
What is the SMILES notation for 2-(ethylsulfanylmethyl)hept-1-ene?
The canonical SMILES for 2-(ethylsulfanylmethyl)hept-1-ene is C=C(CCCCC)CSCC.
What is the InChIKey of 2-(ethylsulfanylmethyl)hept-1-ene?
The InChIKey is JZKHWJLYDAZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-4-6-7-8-10(3)9-11-5-2/h3-9H2,1-2H3.
What are the key properties of 2-(ethylsulfanylmethyl)hept-1-ene?
2-(ethylsulfanylmethyl)hept-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)hept-1-ene is sourced from PubChem (CID 89243673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).