(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol

C19H26F2O — CID 143908759

IUPAC(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C19H26F2O/c1-12(2)8-9-13(3)16(6)18(20)19(21)17(7)14(4)10-11-15(5)22/h10-13,22H,4-9H2,1-3H3/b11-10-,19-18-
InChIKeyZUZLKDGBPGSDPI-PLWCYHAZSA-N
MW308.41 g/mol
LogP6.51
Rot. Bonds9

About (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol

(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol (PubChem CID 143908759) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol.

Molecular Properties

Compound Name(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
PubChem CID143908759
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C19H26F2O/c1-12(2)8-9-13(3)16(6)18(20)19(21)17(7)14(4)10-11-15(5)22/h10-13,22H,4-9H2,1-3H3/b11-10-,19-18-
InChIKeyZUZLKDGBPGSDPI-PLWCYHAZSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol?
The IUPAC name of (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol (CID 143908759) is (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol.
What is the SMILES notation for (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol?
The canonical SMILES for (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol is C=C(O)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)CCC(C)C.
What is the InChIKey of (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol?
The InChIKey is ZUZLKDGBPGSDPI-PLWCYHAZSA-N. The full InChI is InChI=1S/C19H26F2O/c1-12(2)8-9-13(3)16(6)18(20)19(21)17(7)14(4)10-11-15(5)22/h10-13,22H,4-9H2,1-3H3/b11-10-,19-18-.
What are the key properties of (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol?
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol has a molecular weight of 308.41 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol is sourced from PubChem (CID 143908759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).