7,8-dimethyltetradeca-5,9-diyne-7,8-diol

C16H26O2 — CID 102249526

IUPAC7,8-dimethyltetradeca-5,9-diyne-7,8-diol
SMILESCCCCC#CC(C)(O)C(C)(O)C#CCCCC
InChIInChI=1S/C16H26O2/c1-5-7-9-11-13-15(3,17)16(4,18)14-12-10-8-6-2/h17-18H,5-10H2,1-4H3
InChIKeyHAIDUQCSYMRSJL-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.88
Rot. Bonds5

About 7,8-dimethyltetradeca-5,9-diyne-7,8-diol

7,8-dimethyltetradeca-5,9-diyne-7,8-diol (PubChem CID 102249526) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 7,8-dimethyltetradeca-5,9-diyne-7,8-diol.

Molecular Properties

Compound Name7,8-dimethyltetradeca-5,9-diyne-7,8-diol
PubChem CID102249526
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name7,8-dimethyltetradeca-5,9-diyne-7,8-diol
SMILESCCCCC#CC(C)(O)C(C)(O)C#CCCCC
InChIInChI=1S/C16H26O2/c1-5-7-9-11-13-15(3,17)16(4,18)14-12-10-8-6-2/h17-18H,5-10H2,1-4H3
InChIKeyHAIDUQCSYMRSJL-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
3-methylnon-4-yn-3-ol
CID 71352867
2-methyldec-5-yn-2-ol
CID 135039864
6-methyltridec-7-yn-6-ol
CID 10353086
2-chloro-2-methyloct-3-yne
CID 10855756
2-methyldec-3-yne-1,2-diol
CID 121216457
3-methylundec-1-en-4-yn-3-ol
CID 121007343
2-methylhept-3-yn-2-ol
CID 566135
3-methoxy-3-methylnon-4-yne
CID 101213955
5-phenylundec-6-yn-5-ol
CID 172639655
pentadeca-5,10-diyne
CID 15530767
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyltetradeca-5,9-diyne-7,8-diol?
The IUPAC name of 7,8-dimethyltetradeca-5,9-diyne-7,8-diol (CID 102249526) is 7,8-dimethyltetradeca-5,9-diyne-7,8-diol.
What is the SMILES notation for 7,8-dimethyltetradeca-5,9-diyne-7,8-diol?
The canonical SMILES for 7,8-dimethyltetradeca-5,9-diyne-7,8-diol is CCCCC#CC(C)(O)C(C)(O)C#CCCCC.
What is the InChIKey of 7,8-dimethyltetradeca-5,9-diyne-7,8-diol?
The InChIKey is HAIDUQCSYMRSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-9-11-13-15(3,17)16(4,18)14-12-10-8-6-2/h17-18H,5-10H2,1-4H3.
What are the key properties of 7,8-dimethyltetradeca-5,9-diyne-7,8-diol?
7,8-dimethyltetradeca-5,9-diyne-7,8-diol has a molecular weight of 250.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyltetradeca-5,9-diyne-7,8-diol is sourced from PubChem (CID 102249526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).