10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene

C17H33FO — CID 144978930

IUPAC10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene
SMILESC=CC(C)CCC(C)C(C)CCC(C)OCCCF
InChIInChI=1S/C17H33FO/c1-6-14(2)8-9-15(3)16(4)10-11-17(5)19-13-7-12-18/h6,14-17H,1,7-13H2,2-5H3
InChIKeyGZMUZLBLSXSASO-UHFFFAOYSA-N
MW272.45 g/mol
LogP5.41
Rot. Bonds12

About 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene

10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene (PubChem CID 144978930) has the molecular formula C17H33FO and a molecular weight of 272.45 g/mol. Its IUPAC name is 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene.

Molecular Properties

Compound Name10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene
PubChem CID144978930
Molecular FormulaC17H33FO
Molecular Weight272.45 g/mol
Exact Mass272.25
IUPAC Name10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene
SMILESC=CC(C)CCC(C)C(C)CCC(C)OCCCF
InChIInChI=1S/C17H33FO/c1-6-14(2)8-9-15(3)16(4)10-11-17(5)19-13-7-12-18/h6,14-17H,1,7-13H2,2-5H3
InChIKeyGZMUZLBLSXSASO-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.45
LogP ≤ 55.41
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 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene?
The IUPAC name of 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene (CID 144978930) is 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene.
What is the SMILES notation for 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene?
The canonical SMILES for 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene is C=CC(C)CCC(C)C(C)CCC(C)OCCCF.
What is the InChIKey of 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene?
The InChIKey is GZMUZLBLSXSASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO/c1-6-14(2)8-9-15(3)16(4)10-11-17(5)19-13-7-12-18/h6,14-17H,1,7-13H2,2-5H3.
What are the key properties of 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene?
10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene has a molecular weight of 272.45 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoropropoxy)-3,6,7-trimethylundec-1-ene is sourced from PubChem (CID 144978930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).