4-(2,2-dimethylpropylsulfanyl)pent-1-ene

C10H20S — CID 138478178

IUPAC4-(2,2-dimethylpropylsulfanyl)pent-1-ene
SMILESC=CCC(C)SCC(C)(C)C
InChIInChI=1S/C10H20S/c1-6-7-9(2)11-8-10(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyWQWYEUBMQZJATC-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.73
Rot. Bonds4

About 4-(2,2-dimethylpropylsulfanyl)pent-1-ene

4-(2,2-dimethylpropylsulfanyl)pent-1-ene (PubChem CID 138478178) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name4-(2,2-dimethylpropylsulfanyl)pent-1-ene
PubChem CID138478178
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-(2,2-dimethylpropylsulfanyl)pent-1-ene
SMILESC=CCC(C)SCC(C)(C)C
InChIInChI=1S/C10H20S/c1-6-7-9(2)11-8-10(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyWQWYEUBMQZJATC-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfanyl)pent-1-ene?
The IUPAC name of 4-(2,2-dimethylpropylsulfanyl)pent-1-ene (CID 138478178) is 4-(2,2-dimethylpropylsulfanyl)pent-1-ene.
What is the SMILES notation for 4-(2,2-dimethylpropylsulfanyl)pent-1-ene?
The canonical SMILES for 4-(2,2-dimethylpropylsulfanyl)pent-1-ene is C=CCC(C)SCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropylsulfanyl)pent-1-ene?
The InChIKey is WQWYEUBMQZJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-6-7-9(2)11-8-10(3,4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 4-(2,2-dimethylpropylsulfanyl)pent-1-ene?
4-(2,2-dimethylpropylsulfanyl)pent-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylsulfanyl)pent-1-ene is sourced from PubChem (CID 138478178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).