4-methylnon-1-en-8-yn-4-ol

C10H16O — CID 102177580

IUPAC4-methylnon-1-en-8-yn-4-ol
SMILESC#CCCCC(C)(O)CC=C
InChIInChI=1S/C10H16O/c1-4-6-7-9-10(3,11)8-5-2/h1,5,11H,2,6-9H2,3H3
InChIKeyZSQHCZTVMNTINF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds5

About 4-methylnon-1-en-8-yn-4-ol

4-methylnon-1-en-8-yn-4-ol (PubChem CID 102177580) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methylnon-1-en-8-yn-4-ol.

Molecular Properties

Compound Name4-methylnon-1-en-8-yn-4-ol
PubChem CID102177580
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methylnon-1-en-8-yn-4-ol
SMILESC#CCCCC(C)(O)CC=C
InChIInChI=1S/C10H16O/c1-4-6-7-9-10(3,11)8-5-2/h1,5,11H,2,6-9H2,3H3
InChIKeyZSQHCZTVMNTINF-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
3,3-dimethylocta-1,7-diyne
CID 122240234
2,2-dimethylhept-6-ynal
CID 122240233
2-methylhex-5-yn-2-ol
CID 10996988
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
2-methyl-1-methylsulfanylpent-4-en-2-ol
CID 13218065
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
2-cyclohexylhept-6-yn-2-ol
CID 114794902
9,9-dimethyldec-1-yne
CID 169300385
deca-1,9-diene;deca-1,9-diyne
CID 167656021
2-methyl-1-(methylamino)hex-5-yn-2-ol
CID 66038408

Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-en-8-yn-4-ol?
The IUPAC name of 4-methylnon-1-en-8-yn-4-ol (CID 102177580) is 4-methylnon-1-en-8-yn-4-ol.
What is the SMILES notation for 4-methylnon-1-en-8-yn-4-ol?
The canonical SMILES for 4-methylnon-1-en-8-yn-4-ol is C#CCCCC(C)(O)CC=C.
What is the InChIKey of 4-methylnon-1-en-8-yn-4-ol?
The InChIKey is ZSQHCZTVMNTINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-7-9-10(3,11)8-5-2/h1,5,11H,2,6-9H2,3H3.
What are the key properties of 4-methylnon-1-en-8-yn-4-ol?
4-methylnon-1-en-8-yn-4-ol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-en-8-yn-4-ol is sourced from PubChem (CID 102177580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).