(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol

C18H24F2O — CID 143909306

IUPAC(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol
SMILESC=C/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C18H24F2O/c1-7-8-9-12(2)15(5)17(19)18(20)16(6)13(3)10-11-14(4)21/h7-9,13-14,21H,1-2,5-6,10-11H2,3-4H3/b9-8-,18-17-
InChIKeyABFGKRBRXWQLNV-NQGWVOIHSA-N
MW294.38 g/mol
LogP5.34
Rot. Bonds9

About (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol

(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol (PubChem CID 143909306) has the molecular formula C18H24F2O and a molecular weight of 294.38 g/mol. Its IUPAC name is (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol.

Molecular Properties

Compound Name(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol
PubChem CID143909306
Molecular FormulaC18H24F2O
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol
SMILESC=C/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)O
InChIInChI=1S/C18H24F2O/c1-7-8-9-12(2)15(5)17(19)18(20)16(6)13(3)10-11-14(4)21/h7-9,13-14,21H,1-2,5-6,10-11H2,3-4H3/b9-8-,18-17-
InChIKeyABFGKRBRXWQLNV-NQGWVOIHSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol with MolForge

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Related Compounds

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CID 71163686
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CID 71163756

Frequently Asked Questions

What is the IUPAC name of (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol?
The IUPAC name of (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol (CID 143909306) is (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol.
What is the SMILES notation for (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol?
The canonical SMILES for (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol is C=C/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)O.
What is the InChIKey of (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol?
The InChIKey is ABFGKRBRXWQLNV-NQGWVOIHSA-N. The full InChI is InChI=1S/C18H24F2O/c1-7-8-9-12(2)15(5)17(19)18(20)16(6)13(3)10-11-14(4)21/h7-9,13-14,21H,1-2,5-6,10-11H2,3-4H3/b9-8-,18-17-.
What are the key properties of (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol?
(7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol has a molecular weight of 294.38 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z)-7,8-difluoro-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-ol is sourced from PubChem (CID 143909306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).