(4R)-2-methylnon-1-en-6-yn-4-ol

C10H16O — CID 157249533

IUPAC(4R)-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)C[C@@H](O)CC#CCC
InChIInChI=1S/C10H16O/c1-4-5-6-7-10(11)8-9(2)3/h10-11H,2,4,7-8H2,1,3H3/t10-/m0/s1
InChIKeyKVKPZRBATNEZSY-JTQLQIEISA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds3

About (4R)-2-methylnon-1-en-6-yn-4-ol

(4R)-2-methylnon-1-en-6-yn-4-ol (PubChem CID 157249533) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4R)-2-methylnon-1-en-6-yn-4-ol.

Molecular Properties

Compound Name(4R)-2-methylnon-1-en-6-yn-4-ol
PubChem CID157249533
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4R)-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)C[C@@H](O)CC#CCC
InChIInChI=1S/C10H16O/c1-4-5-6-7-10(11)8-9(2)3/h10-11H,2,4,7-8H2,1,3H3/t10-/m0/s1
InChIKeyKVKPZRBATNEZSY-JTQLQIEISA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
(2S)-hept-4-yn-2-ol
CID 7568791
(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132603328
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
6-methylhept-6-ene-2,4-diol
CID 57030596
(3R)-hept-4-yn-3-ol
CID 7010447
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
2-methyloct-1-ene-4,5-diol
CID 103454915
2-ethylhept-4-yn-1-ol
CID 90736610
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
5-methoxy-2-methyloct-1-en-4-ol
CID 116711758

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methylnon-1-en-6-yn-4-ol?
The IUPAC name of (4R)-2-methylnon-1-en-6-yn-4-ol (CID 157249533) is (4R)-2-methylnon-1-en-6-yn-4-ol.
What is the SMILES notation for (4R)-2-methylnon-1-en-6-yn-4-ol?
The canonical SMILES for (4R)-2-methylnon-1-en-6-yn-4-ol is C=C(C)C[C@@H](O)CC#CCC.
What is the InChIKey of (4R)-2-methylnon-1-en-6-yn-4-ol?
The InChIKey is KVKPZRBATNEZSY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-7-10(11)8-9(2)3/h10-11H,2,4,7-8H2,1,3H3/t10-/m0/s1.
What are the key properties of (4R)-2-methylnon-1-en-6-yn-4-ol?
(4R)-2-methylnon-1-en-6-yn-4-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 (4R)-2-methylnon-1-en-6-yn-4-ol is sourced from PubChem (CID 157249533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).