6-methyltridec-7-yn-6-ol

C14H26O — CID 10353086

IUPAC6-methyltridec-7-yn-6-ol
SMILESCCCCCC#CC(C)(O)CCCCC
InChIInChI=1S/C14H26O/c1-4-6-8-9-11-13-14(3,15)12-10-7-5-2/h15H,4-10,12H2,1-3H3
InChIKeyLIGBGGSZISUVHL-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds7

About 6-methyltridec-7-yn-6-ol

6-methyltridec-7-yn-6-ol (PubChem CID 10353086) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-methyltridec-7-yn-6-ol.

Molecular Properties

Compound Name6-methyltridec-7-yn-6-ol
PubChem CID10353086
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name6-methyltridec-7-yn-6-ol
SMILESCCCCCC#CC(C)(O)CCCCC
InChIInChI=1S/C14H26O/c1-4-6-8-9-11-13-14(3,15)12-10-7-5-2/h15H,4-10,12H2,1-3H3
InChIKeyLIGBGGSZISUVHL-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
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

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2-methyldec-3-yne-1,2-diol
CID 121216457
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methylnon-4-yn-3-ol
CID 71352867
3-methyldodeca-4,6-diyn-3-ol
CID 134993954
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
3-methylundec-1-en-4-yn-3-ol
CID 121007343
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadec-9-yn-8-ol
CID 164668183
2,2,3,3-tetramethyldodec-4-yne
CID 123959581
3-(aminomethyl)-2,2-dimethylundec-4-yn-3-ol
CID 13113251
2-methyltrideca-3,5-diyn-2-ol
CID 101092007

Frequently Asked Questions

What is the IUPAC name of 6-methyltridec-7-yn-6-ol?
The IUPAC name of 6-methyltridec-7-yn-6-ol (CID 10353086) is 6-methyltridec-7-yn-6-ol.
What is the SMILES notation for 6-methyltridec-7-yn-6-ol?
The canonical SMILES for 6-methyltridec-7-yn-6-ol is CCCCCC#CC(C)(O)CCCCC.
What is the InChIKey of 6-methyltridec-7-yn-6-ol?
The InChIKey is LIGBGGSZISUVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-8-9-11-13-14(3,15)12-10-7-5-2/h15H,4-10,12H2,1-3H3.
What are the key properties of 6-methyltridec-7-yn-6-ol?
6-methyltridec-7-yn-6-ol has a molecular weight of 210.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltridec-7-yn-6-ol is sourced from PubChem (CID 10353086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).