3-methylnon-4-yn-3-ol

C10H18O — CID 71352867

IUPAC3-methylnon-4-yn-3-ol
SMILESCCCCC#CC(C)(O)CC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-7H2,1-3H3
InChIKeyCNGYJXDUARQTRA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds3

About 3-methylnon-4-yn-3-ol

3-methylnon-4-yn-3-ol (PubChem CID 71352867) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methylnon-4-yn-3-ol.

Molecular Properties

Compound Name3-methylnon-4-yn-3-ol
PubChem CID71352867
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methylnon-4-yn-3-ol
SMILESCCCCC#CC(C)(O)CC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-7H2,1-3H3
InChIKeyCNGYJXDUARQTRA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyloct-4-yne-1,6-diol
CID 71443572
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methyldodeca-4,6-diyn-3-ol
CID 134993954
6-methyltridec-7-yn-6-ol
CID 10353086
2-methyldec-3-yne-1,2-diol
CID 121216457
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
(4R)-4-methylhex-2-yne-1,4-diol
CID 98399513
2,6-dimethyloct-4-yne-2,6-diol
CID 71333785
2-chloro-2-methyloct-3-yne
CID 10855756
2-methyldec-5-yn-2-ol
CID 135039864
3-methoxy-3-methylnon-4-yne
CID 101213955
3,6,6-trimethylhept-4-yn-3-ol
CID 59856304

Frequently Asked Questions

What is the IUPAC name of 3-methylnon-4-yn-3-ol?
The IUPAC name of 3-methylnon-4-yn-3-ol (CID 71352867) is 3-methylnon-4-yn-3-ol.
What is the SMILES notation for 3-methylnon-4-yn-3-ol?
The canonical SMILES for 3-methylnon-4-yn-3-ol is CCCCC#CC(C)(O)CC.
What is the InChIKey of 3-methylnon-4-yn-3-ol?
The InChIKey is CNGYJXDUARQTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-7H2,1-3H3.
What are the key properties of 3-methylnon-4-yn-3-ol?
3-methylnon-4-yn-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnon-4-yn-3-ol is sourced from PubChem (CID 71352867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).