2,3-dimethyl-7-methylsulfanylhept-2-ene

C10H20S — CID 87187554

IUPAC2,3-dimethyl-7-methylsulfanylhept-2-ene
SMILESCSCCCCC(C)=C(C)C
InChIInChI=1S/C10H20S/c1-9(2)10(3)7-5-6-8-11-4/h5-8H2,1-4H3
InChIKeyKRUUKCLBQDEKLE-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds5

About 2,3-dimethyl-7-methylsulfanylhept-2-ene

2,3-dimethyl-7-methylsulfanylhept-2-ene (PubChem CID 87187554) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 2,3-dimethyl-7-methylsulfanylhept-2-ene.

Molecular Properties

Compound Name2,3-dimethyl-7-methylsulfanylhept-2-ene
PubChem CID87187554
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2,3-dimethyl-7-methylsulfanylhept-2-ene
SMILESCSCCCCC(C)=C(C)C
InChIInChI=1S/C10H20S/c1-9(2)10(3)7-5-6-8-11-4/h5-8H2,1-4H3
InChIKeyKRUUKCLBQDEKLE-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 2,3-dimethyl-7-methylsulfanylhept-2-ene?
The IUPAC name of 2,3-dimethyl-7-methylsulfanylhept-2-ene (CID 87187554) is 2,3-dimethyl-7-methylsulfanylhept-2-ene.
What is the SMILES notation for 2,3-dimethyl-7-methylsulfanylhept-2-ene?
The canonical SMILES for 2,3-dimethyl-7-methylsulfanylhept-2-ene is CSCCCCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-7-methylsulfanylhept-2-ene?
The InChIKey is KRUUKCLBQDEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-9(2)10(3)7-5-6-8-11-4/h5-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-7-methylsulfanylhept-2-ene?
2,3-dimethyl-7-methylsulfanylhept-2-ene has a molecular weight of 172.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-methylsulfanylhept-2-ene is sourced from PubChem (CID 87187554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).