6,6-dimethylnon-8-en-3-yne-1,5-diol

C11H18O2 — CID 11084520

IUPAC6,6-dimethylnon-8-en-3-yne-1,5-diol
SMILESC=CCC(C)(C)C(O)C#CCCO
InChIInChI=1S/C11H18O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h4,10,12-13H,1,6,8-9H2,2-3H3
InChIKeyXUFLCPJKEKQYGE-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.34
Rot. Bonds4

About 6,6-dimethylnon-8-en-3-yne-1,5-diol

6,6-dimethylnon-8-en-3-yne-1,5-diol (PubChem CID 11084520) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6,6-dimethylnon-8-en-3-yne-1,5-diol.

Molecular Properties

Compound Name6,6-dimethylnon-8-en-3-yne-1,5-diol
PubChem CID11084520
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6,6-dimethylnon-8-en-3-yne-1,5-diol
SMILESC=CCC(C)(C)C(O)C#CCCO
InChIInChI=1S/C11H18O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h4,10,12-13H,1,6,8-9H2,2-3H3
InChIKeyXUFLCPJKEKQYGE-UHFFFAOYSA-N
XLogP1.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
1,1,1-Trifluoro-5,5-dimethyloct-7-en-2-yn-4-ol
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2-Prop-2-enyl-2-prop-2-ynylpropane-1,3-diol
CID 85548660
1-Fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
CID 141012200
1-Methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
CID 14271068
(3R)-4,4-dimethyl-1-(2-methylcyclobuten-1-yl)hept-6-en-1-yn-3-ol
CID 14379158
5-Methoxynon-8-en-3-yn-1-ol
CID 71418969
6-Methoxydec-9-en-4-yn-1-ol
CID 71418972
4-Hydroxy-5,5-dimethyloct-7-en-2-ynoic acid
CID 129927402
(3S,5S)-4,4-dimethylhepta-1,6-diene-3,5-diol
CID 131230524
6,6,9-Trimethyldeca-1,8-dien-3-yn-5-ol
CID 154707186
(2S)-3,3-dimethylhex-5-en-2-ol
CID 102526529

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylnon-8-en-3-yne-1,5-diol?
The IUPAC name of 6,6-dimethylnon-8-en-3-yne-1,5-diol (CID 11084520) is 6,6-dimethylnon-8-en-3-yne-1,5-diol.
What is the SMILES notation for 6,6-dimethylnon-8-en-3-yne-1,5-diol?
The canonical SMILES for 6,6-dimethylnon-8-en-3-yne-1,5-diol is C=CCC(C)(C)C(O)C#CCCO.
What is the InChIKey of 6,6-dimethylnon-8-en-3-yne-1,5-diol?
The InChIKey is XUFLCPJKEKQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-8-11(2,3)10(13)7-5-6-9-12/h4,10,12-13H,1,6,8-9H2,2-3H3.
What are the key properties of 6,6-dimethylnon-8-en-3-yne-1,5-diol?
6,6-dimethylnon-8-en-3-yne-1,5-diol has a molecular weight of 182.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylnon-8-en-3-yne-1,5-diol is sourced from PubChem (CID 11084520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).