4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol

C11H19FO — CID 123175117

IUPAC4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol
SMILESCC=C(C=C(F)CC)C(C)CCO
InChIInChI=1S/C11H19FO/c1-4-10(8-11(12)5-2)9(3)6-7-13/h4,8-9,13H,5-7H2,1-3H3
InChIKeyNAKVQPLJYFUUKM-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.21
Rot. Bonds5

About 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol

4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol (PubChem CID 123175117) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol.

Molecular Properties

Compound Name4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol
PubChem CID123175117
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol
SMILESCC=C(C=C(F)CC)C(C)CCO
InChIInChI=1S/C11H19FO/c1-4-10(8-11(12)5-2)9(3)6-7-13/h4,8-9,13H,5-7H2,1-3H3
InChIKeyNAKVQPLJYFUUKM-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.21
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 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol?
The IUPAC name of 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol (CID 123175117) is 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol.
What is the SMILES notation for 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol?
The canonical SMILES for 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol is CC=C(C=C(F)CC)C(C)CCO.
What is the InChIKey of 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol?
The InChIKey is NAKVQPLJYFUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-10(8-11(12)5-2)9(3)6-7-13/h4,8-9,13H,5-7H2,1-3H3.
What are the key properties of 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol?
4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol has a molecular weight of 186.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-6-fluoro-3-methyloct-5-en-1-ol is sourced from PubChem (CID 123175117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).