(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol

C14H21F3O — CID 142318716

IUPAC(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol
SMILESC=C(/C=C(/F)C(=C)C(O)(F)F)C(C)CCC(C)C
InChIInChI=1S/C14H21F3O/c1-9(2)6-7-10(3)11(4)8-13(15)12(5)14(16,17)18/h8-10,18H,4-7H2,1-3H3/b13-8+
InChIKeyPSSAHQGCUHPVOH-MDWZMJQESA-N
MW262.31 g/mol
LogP4.61
Rot. Bonds7

About (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol

(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol (PubChem CID 142318716) has the molecular formula C14H21F3O and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol.

Molecular Properties

Compound Name(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol
PubChem CID142318716
Molecular FormulaC14H21F3O
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol
SMILESC=C(/C=C(/F)C(=C)C(O)(F)F)C(C)CCC(C)C
InChIInChI=1S/C14H21F3O/c1-9(2)6-7-10(3)11(4)8-13(15)12(5)14(16,17)18/h8-10,18H,4-7H2,1-3H3/b13-8+
InChIKeyPSSAHQGCUHPVOH-MDWZMJQESA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
Difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
CID 143238985
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 143908759
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834
(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol
CID 144714611
(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 145235005

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol?
The IUPAC name of (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol (CID 142318716) is (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol.
What is the SMILES notation for (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol?
The canonical SMILES for (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol is C=C(/C=C(/F)C(=C)C(O)(F)F)C(C)CCC(C)C.
What is the InChIKey of (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol?
The InChIKey is PSSAHQGCUHPVOH-MDWZMJQESA-N. The full InChI is InChI=1S/C14H21F3O/c1-9(2)6-7-10(3)11(4)8-13(15)12(5)14(16,17)18/h8-10,18H,4-7H2,1-3H3/b13-8+.
What are the key properties of (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol?
(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol has a molecular weight of 262.31 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-en-1-ol is sourced from PubChem (CID 142318716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).