4-(methylsulfanylmethoxy)undec-1-ene

C13H26OS — CID 15324986

IUPAC4-(methylsulfanylmethoxy)undec-1-ene
SMILESC=CCC(CCCCCCC)OCSC
InChIInChI=1S/C13H26OS/c1-4-6-7-8-9-11-13(10-5-2)14-12-15-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyZXNSMDZCDDYGOR-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.63
Rot. Bonds11

About 4-(methylsulfanylmethoxy)undec-1-ene

4-(methylsulfanylmethoxy)undec-1-ene (PubChem CID 15324986) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-(methylsulfanylmethoxy)undec-1-ene.

Molecular Properties

Compound Name4-(methylsulfanylmethoxy)undec-1-ene
PubChem CID15324986
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-(methylsulfanylmethoxy)undec-1-ene
SMILESC=CCC(CCCCCCC)OCSC
InChIInChI=1S/C13H26OS/c1-4-6-7-8-9-11-13(10-5-2)14-12-15-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyZXNSMDZCDDYGOR-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy dec-1-ene
CID 11829889
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
(4S)-4-methoxyundec-1-ene
CID 53329273
2-Methylsulfanyl-2-prop-2-enyloxepane
CID 14681298
2-Methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
2-Methylsulfanyl-2-prop-2-enyl-oxacycloheptadecane
CID 14681314
2-Methylsulfanyl-2-prop-2-enyloxocane
CID 86241841
4-Ethenoxydec-1-ene
CID 101377741
2-Methylsulfanyl-2-prop-2-enyl-oxacyclooctadecane
CID 134871894
4-Methoxynon-1-ene
CID 13284925
4-Ethoxynon-1-ene
CID 14592862

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethoxy)undec-1-ene?
The IUPAC name of 4-(methylsulfanylmethoxy)undec-1-ene (CID 15324986) is 4-(methylsulfanylmethoxy)undec-1-ene.
What is the SMILES notation for 4-(methylsulfanylmethoxy)undec-1-ene?
The canonical SMILES for 4-(methylsulfanylmethoxy)undec-1-ene is C=CCC(CCCCCCC)OCSC.
What is the InChIKey of 4-(methylsulfanylmethoxy)undec-1-ene?
The InChIKey is ZXNSMDZCDDYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-4-6-7-8-9-11-13(10-5-2)14-12-15-3/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of 4-(methylsulfanylmethoxy)undec-1-ene?
4-(methylsulfanylmethoxy)undec-1-ene has a molecular weight of 230.42 g/mol, XLogP of 4.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethoxy)undec-1-ene is sourced from PubChem (CID 15324986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).