(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol

C14H21F3O — CID 177425509

IUPAC(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol
SMILESCC(C)=CCC/C(C)=C/C=C\C(C)(O)C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-11(2)7-5-8-12(3)9-6-10-13(4,18)14(15,16)17/h6-7,9-10,18H,5,8H2,1-4H3/b10-6-,12-9+
InChIKeyDUTWCQWADRNRAE-ZQNGMKBSSA-N
MW262.31 g/mol
LogP4.55
Rot. Bonds5

About (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol

(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol (PubChem CID 177425509) has the molecular formula C14H21F3O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol
PubChem CID177425509
Molecular FormulaC14H21F3O
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol
SMILESCC(C)=CCC/C(C)=C/C=C\C(C)(O)C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-11(2)7-5-8-12(3)9-6-10-13(4,18)14(15,16)17/h6-7,9-10,18H,5,8H2,1-4H3/b10-6-,12-9+
InChIKeyDUTWCQWADRNRAE-ZQNGMKBSSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol
CID 20732946
acetylene;(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one;(4E,6E)-3,7,11-trimethyldodeca-4,6,10-trien-1-yn-3-ol
CID 158821892
10,10-di(butan-2-yloxy)-2,6-dimethylundeca-2,6,8-triene
CID 144649738
(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
CID 87392782
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaen-1-ol
CID 24860841
3,7-dimethylocta-2,6-dienal
CID 8843

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol?
The IUPAC name of (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol (CID 177425509) is (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol.
What is the SMILES notation for (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol?
The canonical SMILES for (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol is CC(C)=CCC/C(C)=C/C=C\C(C)(O)C(F)(F)F.
What is the InChIKey of (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol?
The InChIKey is DUTWCQWADRNRAE-ZQNGMKBSSA-N. The full InChI is InChI=1S/C14H21F3O/c1-11(2)7-5-8-12(3)9-6-10-13(4,18)14(15,16)17/h6-7,9-10,18H,5,8H2,1-4H3/b10-6-,12-9+.
What are the key properties of (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol?
(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol has a molecular weight of 262.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol is sourced from PubChem (CID 177425509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).