(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol

C12H19FO — CID 58305090

IUPAC(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol
SMILESCCCC#CC(O)/C(F)=C\CC(C)C
InChIInChI=1S/C12H19FO/c1-4-5-6-7-12(14)11(13)9-8-10(2)3/h9-10,12,14H,4-5,8H2,1-3H3/b11-9+
InChIKeyMDBKJOPEQXUUGX-PKNBQFBNSA-N
MW198.28 g/mol
LogP3.05
Rot. Bonds4

About (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol

(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol (PubChem CID 58305090) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol.

Molecular Properties

Compound Name(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol
PubChem CID58305090
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol
SMILESCCCC#CC(O)/C(F)=C\CC(C)C
InChIInChI=1S/C12H19FO/c1-4-5-6-7-12(14)11(13)9-8-10(2)3/h9-10,12,14H,4-5,8H2,1-3H3/b11-9+
InChIKeyMDBKJOPEQXUUGX-PKNBQFBNSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol?
The IUPAC name of (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol (CID 58305090) is (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol.
What is the SMILES notation for (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol?
The canonical SMILES for (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol is CCCC#CC(O)/C(F)=C\CC(C)C.
What is the InChIKey of (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol?
The InChIKey is MDBKJOPEQXUUGX-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-5-6-7-12(14)11(13)9-8-10(2)3/h9-10,12,14H,4-5,8H2,1-3H3/b11-9+.
What are the key properties of (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol?
(E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol has a molecular weight of 198.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-2-methylundec-4-en-7-yn-6-ol is sourced from PubChem (CID 58305090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).