5-methylnon-1-en-3-yn-5-ol

C10H16O — CID 13206978

IUPAC5-methylnon-1-en-3-yn-5-ol
SMILESC=CC#CC(C)(O)CCCC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3,11)9-7-5-2/h4,11H,1,5,7,9H2,2-3H3
InChIKeyMOUSERWHKILMAI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds3

About 5-methylnon-1-en-3-yn-5-ol

5-methylnon-1-en-3-yn-5-ol (PubChem CID 13206978) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methylnon-1-en-3-yn-5-ol.

Molecular Properties

Compound Name5-methylnon-1-en-3-yn-5-ol
PubChem CID13206978
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-methylnon-1-en-3-yn-5-ol
SMILESC=CC#CC(C)(O)CCCC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3,11)9-7-5-2/h4,11H,1,5,7,9H2,2-3H3
InChIKeyMOUSERWHKILMAI-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(10S,13S)-10,13-dimethyldocos-11-yne-10,13-diol
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(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
6-methyltridec-7-yn-6-ol
CID 10353086
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
5,5,8,8-tetramethyldodec-6-yne
CID 173245990
(E)-5-hydroxy-5-methylnon-3-en-2-one
CID 87291888
2-methylhexan-2-ol;yttrium
CID 58823506
gold;2-methylhexan-2-ol
CID 18513333
(4R)-4-methylhept-2-yn-4-ol
CID 7022339
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
(5S,8R)-5,8-diethyldodec-6-yne-5,8-diol
CID 92529620

Frequently Asked Questions

What is the IUPAC name of 5-methylnon-1-en-3-yn-5-ol?
The IUPAC name of 5-methylnon-1-en-3-yn-5-ol (CID 13206978) is 5-methylnon-1-en-3-yn-5-ol.
What is the SMILES notation for 5-methylnon-1-en-3-yn-5-ol?
The canonical SMILES for 5-methylnon-1-en-3-yn-5-ol is C=CC#CC(C)(O)CCCC.
What is the InChIKey of 5-methylnon-1-en-3-yn-5-ol?
The InChIKey is MOUSERWHKILMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-8-10(3,11)9-7-5-2/h4,11H,1,5,7,9H2,2-3H3.
What are the key properties of 5-methylnon-1-en-3-yn-5-ol?
5-methylnon-1-en-3-yn-5-ol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnon-1-en-3-yn-5-ol is sourced from PubChem (CID 13206978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).