1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol

C13H21FO — CID 141012200

IUPAC1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
SMILESC=CCCC(C)(C)CC#CC(O)CCF
InChIInChI=1S/C13H21FO/c1-4-5-9-13(2,3)10-6-7-12(15)8-11-14/h4,12,15H,1,5,8-11H2,2-3H3
InChIKeyNPVKVGYMWBEIRN-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.09
Rot. Bonds6

About 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol

1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol (PubChem CID 141012200) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol.

Molecular Properties

Compound Name1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
PubChem CID141012200
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
SMILESC=CCCC(C)(C)CC#CC(O)CCF
InChIInChI=1S/C13H21FO/c1-4-5-9-13(2,3)10-6-7-12(15)8-11-14/h4,12,15H,1,5,8-11H2,2-3H3
InChIKeyNPVKVGYMWBEIRN-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 135023914
1-Methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
CID 14271068
3,3-Dimethyloct-1-en-7-yn-4-ol
CID 162405475
9,9-Dimethyl-7-methylidenedec-4-yn-3-ol
CID 20276913
(E)-12,12-dimethyltridec-7-en-2-yn-4-ol
CID 140983889
(4R)-6,6-dimethyloct-7-en-1-yn-4-ol
CID 161329767
6,6-Dimethylnon-8-en-3-yne-1,5-diol
CID 11084520
5,5-Dimethyloct-7-en-2-yne-1,4-diol
CID 11745031
4,4-Dimethylpentadec-1-en-6-yn-5-ol
CID 15174363
(3S)-4,4-dimethylhept-6-en-3-ol
CID 25269671
(3R)-4,4-dimethylhept-6-en-3-ol
CID 25269672
4,4-Dimethylhept-6-en-3-ol
CID 74440422

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol?
The IUPAC name of 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol (CID 141012200) is 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol.
What is the SMILES notation for 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol?
The canonical SMILES for 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol is C=CCCC(C)(C)CC#CC(O)CCF.
What is the InChIKey of 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol?
The InChIKey is NPVKVGYMWBEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-4-5-9-13(2,3)10-6-7-12(15)8-11-14/h4,12,15H,1,5,8-11H2,2-3H3.
What are the key properties of 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol?
1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol has a molecular weight of 212.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7,7-dimethylundec-10-en-4-yn-3-ol is sourced from PubChem (CID 141012200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).