4-ethylidene-7-fluoroocta-5,7-dien-3-ol

C10H15FO — CID 91057405

IUPAC4-ethylidene-7-fluoroocta-5,7-dien-3-ol
SMILESC=C(F)C=CC(=CC)C(O)CC
InChIInChI=1S/C10H15FO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-7,10,12H,3,5H2,1-2H3
InChIKeyWQQNESTVZFBDFP-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.74
Rot. Bonds4

About 4-ethylidene-7-fluoroocta-5,7-dien-3-ol

4-ethylidene-7-fluoroocta-5,7-dien-3-ol (PubChem CID 91057405) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-ethylidene-7-fluoroocta-5,7-dien-3-ol.

Molecular Properties

Compound Name4-ethylidene-7-fluoroocta-5,7-dien-3-ol
PubChem CID91057405
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name4-ethylidene-7-fluoroocta-5,7-dien-3-ol
SMILESC=C(F)C=CC(=CC)C(O)CC
InChIInChI=1S/C10H15FO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-7,10,12H,3,5H2,1-2H3
InChIKeyWQQNESTVZFBDFP-UHFFFAOYSA-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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Related Compounds

2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Ipsdienol
CID 92301
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
Aspinotriol B
CID 24763080
2,6-Dimethyl-1,5,7-octatrien-3-ol
CID 119847
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
Aspinotriol A
CID 24763079
EINECS 249-293-9, AI3-20002, CID5365897, 6,10-Dimethylundeca-1,5,9-trien-4-ol, 1,5,9-Undecatrien-4-ol, 6,10-dimethyl-, 2,6,10-Undecatrien-8-ol, 2,6-dimethyl-, 28897-20-3
CID 120085
(E)-7-Methyl-3-methyleneocta-4,6-dien-2-ol
CID 6436559
(3R,5E)-2,6-dimethylocta-1,5,7-trien-3-ol
CID 92256191
(Z)-Ocimenol
CID 22163404

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-7-fluoroocta-5,7-dien-3-ol?
The IUPAC name of 4-ethylidene-7-fluoroocta-5,7-dien-3-ol (CID 91057405) is 4-ethylidene-7-fluoroocta-5,7-dien-3-ol.
What is the SMILES notation for 4-ethylidene-7-fluoroocta-5,7-dien-3-ol?
The canonical SMILES for 4-ethylidene-7-fluoroocta-5,7-dien-3-ol is C=C(F)C=CC(=CC)C(O)CC.
What is the InChIKey of 4-ethylidene-7-fluoroocta-5,7-dien-3-ol?
The InChIKey is WQQNESTVZFBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-7,10,12H,3,5H2,1-2H3.
What are the key properties of 4-ethylidene-7-fluoroocta-5,7-dien-3-ol?
4-ethylidene-7-fluoroocta-5,7-dien-3-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 4-ethylidene-7-fluoroocta-5,7-dien-3-ol is sourced from PubChem (CID 91057405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).