3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol

C16H27F3O — CID 123265932

IUPAC3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol
SMILESCC=CC(=CC)CCCC(CCCC)C(O)C(F)(F)F
InChIInChI=1S/C16H27F3O/c1-4-7-11-14(15(20)16(17,18)19)12-8-10-13(6-3)9-5-2/h5-6,9,14-15,20H,4,7-8,10-12H2,1-3H3
InChIKeyWOIOJYLEFIVUCY-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.41
Rot. Bonds9

About 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol

3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol (PubChem CID 123265932) has the molecular formula C16H27F3O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol.

Molecular Properties

Compound Name3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol
PubChem CID123265932
Molecular FormulaC16H27F3O
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol
SMILESCC=CC(=CC)CCCC(CCCC)C(O)C(F)(F)F
InChIInChI=1S/C16H27F3O/c1-4-7-11-14(15(20)16(17,18)19)12-8-10-13(6-3)9-5-2/h5-6,9,14-15,20H,4,7-8,10-12H2,1-3H3
InChIKeyWOIOJYLEFIVUCY-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol?
The IUPAC name of 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol (CID 123265932) is 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol.
What is the SMILES notation for 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol?
The canonical SMILES for 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol is CC=CC(=CC)CCCC(CCCC)C(O)C(F)(F)F.
What is the InChIKey of 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol?
The InChIKey is WOIOJYLEFIVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O/c1-4-7-11-14(15(20)16(17,18)19)12-8-10-13(6-3)9-5-2/h5-6,9,14-15,20H,4,7-8,10-12H2,1-3H3.
What are the key properties of 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol?
3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol has a molecular weight of 292.38 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-ethylidene-1,1,1-trifluorodec-8-en-2-ol is sourced from PubChem (CID 123265932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).