9-(2-methylpropylsulfanyl)non-1-ene

C13H26S — CID 23466633

IUPAC9-(2-methylpropylsulfanyl)non-1-ene
SMILESC=CCCCCCCCSCC(C)C
InChIInChI=1S/C13H26S/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4,13H,1,5-12H2,2-3H3
InChIKeyYZECRRCMZRDEAP-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.90
Rot. Bonds10

About 9-(2-methylpropylsulfanyl)non-1-ene

9-(2-methylpropylsulfanyl)non-1-ene (PubChem CID 23466633) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 9-(2-methylpropylsulfanyl)non-1-ene.

Molecular Properties

Compound Name9-(2-methylpropylsulfanyl)non-1-ene
PubChem CID23466633
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name9-(2-methylpropylsulfanyl)non-1-ene
SMILESC=CCCCCCCCSCC(C)C
InChIInChI=1S/C13H26S/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4,13H,1,5-12H2,2-3H3
InChIKeyYZECRRCMZRDEAP-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.90
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 9-(2-methylpropylsulfanyl)non-1-ene?
The IUPAC name of 9-(2-methylpropylsulfanyl)non-1-ene (CID 23466633) is 9-(2-methylpropylsulfanyl)non-1-ene.
What is the SMILES notation for 9-(2-methylpropylsulfanyl)non-1-ene?
The canonical SMILES for 9-(2-methylpropylsulfanyl)non-1-ene is C=CCCCCCCCSCC(C)C.
What is the InChIKey of 9-(2-methylpropylsulfanyl)non-1-ene?
The InChIKey is YZECRRCMZRDEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-4-5-6-7-8-9-10-11-14-12-13(2)3/h4,13H,1,5-12H2,2-3H3.
What are the key properties of 9-(2-methylpropylsulfanyl)non-1-ene?
9-(2-methylpropylsulfanyl)non-1-ene has a molecular weight of 214.42 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropylsulfanyl)non-1-ene is sourced from PubChem (CID 23466633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).