(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol

C19H30F2O2 — CID 145107628

IUPAC(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol
SMILESC=C(F)/C=C(/OCCCCCC(CCC)/C(O)=C/CC)C(=C)F
InChIInChI=1S/C19H30F2O2/c1-5-10-17(18(22)11-6-2)12-8-7-9-13-23-19(16(4)21)14-15(3)20/h11,14,17,22H,3-10,12-13H2,1-2H3/b18-11-,19-14+
InChIKeyNHKKHDQHBZGXOR-ZKVVTGIPSA-N
MW328.44 g/mol
LogP6.68
Rot. Bonds13

About (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol

(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol (PubChem CID 145107628) has the molecular formula C19H30F2O2 and a molecular weight of 328.44 g/mol. Its IUPAC name is (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol.

Molecular Properties

Compound Name(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol
PubChem CID145107628
Molecular FormulaC19H30F2O2
Molecular Weight328.44 g/mol
Exact Mass328.22
IUPAC Name(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol
SMILESC=C(F)/C=C(/OCCCCCC(CCC)/C(O)=C/CC)C(=C)F
InChIInChI=1S/C19H30F2O2/c1-5-10-17(18(22)11-6-2)12-8-7-9-13-23-19(16(4)21)14-15(3)20/h11,14,17,22H,3-10,12-13H2,1-2H3/b18-11-,19-14+
InChIKeyNHKKHDQHBZGXOR-ZKVVTGIPSA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol?
The IUPAC name of (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol (CID 145107628) is (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol.
What is the SMILES notation for (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol?
The canonical SMILES for (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol is C=C(F)/C=C(/OCCCCCC(CCC)/C(O)=C/CC)C(=C)F.
What is the InChIKey of (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol?
The InChIKey is NHKKHDQHBZGXOR-ZKVVTGIPSA-N. The full InChI is InChI=1S/C19H30F2O2/c1-5-10-17(18(22)11-6-2)12-8-7-9-13-23-19(16(4)21)14-15(3)20/h11,14,17,22H,3-10,12-13H2,1-2H3/b18-11-,19-14+.
What are the key properties of (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol?
(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol has a molecular weight of 328.44 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol is sourced from PubChem (CID 145107628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).