9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol

C12H15FO — CID 134372969

IUPAC9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol
SMILESC=CC(F)C(C)C#CC#CCCCO
InChIInChI=1S/C12H15FO/c1-3-12(13)11(2)9-7-5-4-6-8-10-14/h3,11-12,14H,1,6,8,10H2,2H3
InChIKeyNBTPDNABEYTCMH-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.93
Rot. Bonds4

About 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol

9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol (PubChem CID 134372969) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol.

Molecular Properties

Compound Name9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol
PubChem CID134372969
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol
SMILESC=CC(F)C(C)C#CC#CCCCO
InChIInChI=1S/C12H15FO/c1-3-12(13)11(2)9-7-5-4-6-8-10-14/h3,11-12,14H,1,6,8,10H2,2H3
InChIKeyNBTPDNABEYTCMH-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol?
The IUPAC name of 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol (CID 134372969) is 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol.
What is the SMILES notation for 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol?
The canonical SMILES for 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol is C=CC(F)C(C)C#CC#CCCCO.
What is the InChIKey of 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol?
The InChIKey is NBTPDNABEYTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-12(13)11(2)9-7-5-4-6-8-10-14/h3,11-12,14H,1,6,8,10H2,2H3.
What are the key properties of 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol?
9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol has a molecular weight of 194.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-methylundec-10-en-4,6-diyn-1-ol is sourced from PubChem (CID 134372969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).