(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene

C15H30OS — CID 166963155

IUPAC(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene
SMILESCSC/C=C\CCCCCCCCOC(C)C
InChIInChI=1S/C15H30OS/c1-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17-3/h10,12,15H,4-9,11,13-14H2,1-3H3/b12-10-
InChIKeyLZEANQUMCOCNTR-BENRWUELSA-N
MW258.47 g/mol
LogP5.06
Rot. Bonds12

About (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene

(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene (PubChem CID 166963155) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene.

Molecular Properties

Compound Name(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene
PubChem CID166963155
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene
SMILESCSC/C=C\CCCCCCCCOC(C)C
InChIInChI=1S/C15H30OS/c1-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17-3/h10,12,15H,4-9,11,13-14H2,1-3H3/b12-10-
InChIKeyLZEANQUMCOCNTR-BENRWUELSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene?
The IUPAC name of (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene (CID 166963155) is (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene.
What is the SMILES notation for (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene?
The canonical SMILES for (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene is CSC/C=C\CCCCCCCCOC(C)C.
What is the InChIKey of (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene?
The InChIKey is LZEANQUMCOCNTR-BENRWUELSA-N. The full InChI is InChI=1S/C15H30OS/c1-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17-3/h10,12,15H,4-9,11,13-14H2,1-3H3/b12-10-.
What are the key properties of (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene?
(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene has a molecular weight of 258.47 g/mol, XLogP of 5.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene is sourced from PubChem (CID 166963155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).