(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol

C10H15FO — CID 89207204

IUPAC(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol
SMILESC/C=C(\C=C(F)/C=C/CC)CO
InChIInChI=1S/C10H15FO/c1-3-5-6-10(11)7-9(4-2)8-12/h4-7,12H,3,8H2,1-2H3/b6-5+,9-4+,10-7+
InChIKeyLGHULCQEKHIELO-SIZPBZAJSA-N
MW170.23 g/mol
LogP2.74
Rot. Bonds4

About (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol

(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol (PubChem CID 89207204) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol
PubChem CID89207204
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol
SMILESC/C=C(\C=C(F)/C=C/CC)CO
InChIInChI=1S/C10H15FO/c1-3-5-6-10(11)7-9(4-2)8-12/h4-7,12H,3,8H2,1-2H3/b6-5+,9-4+,10-7+
InChIKeyLGHULCQEKHIELO-SIZPBZAJSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol?
The IUPAC name of (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol (CID 89207204) is (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol.
What is the SMILES notation for (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol?
The canonical SMILES for (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol is C/C=C(\C=C(F)/C=C/CC)CO.
What is the InChIKey of (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol?
The InChIKey is LGHULCQEKHIELO-SIZPBZAJSA-N. The full InChI is InChI=1S/C10H15FO/c1-3-5-6-10(11)7-9(4-2)8-12/h4-7,12H,3,8H2,1-2H3/b6-5+,9-4+,10-7+.
What are the key properties of (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol?
(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol has a molecular weight of 170.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol is sourced from PubChem (CID 89207204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).