8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol

C16H30O2 — CID 140549645

IUPAC8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol
SMILESCCCCC(C)(C#CC(C)(O)CCC(C)C)OC
InChIInChI=1S/C16H30O2/c1-7-8-10-16(5,18-6)13-12-15(4,17)11-9-14(2)3/h14,17H,7-11H2,1-6H3
InChIKeyQUWPAIMMAOIAQV-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.77
Rot. Bonds7

About 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol

8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol (PubChem CID 140549645) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol.

Molecular Properties

Compound Name8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol
PubChem CID140549645
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol
SMILESCCCCC(C)(C#CC(C)(O)CCC(C)C)OC
InChIInChI=1S/C16H30O2/c1-7-8-10-16(5,18-6)13-12-15(4,17)11-9-14(2)3/h14,17H,7-11H2,1-6H3
InChIKeyQUWPAIMMAOIAQV-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,7,9-Tetramethyl-5-decyne-4,7-diol
CID 31362
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-
CID 109234
3,6-Dimethyl-1-heptyn-3-ol
CID 89182
3-Nonyne-1,5-diol, 5-methyl-
CID 15259
5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-, polymer with oxirane
CID 6453943
4-Methyl-2-octyn-4-ol
CID 144663
1,4-Dimethylcyclododeca-5,11-diyne-1,4-diol
CID 85712065
5-Methylundec-6-yn-5-ol
CID 15252830
Rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol
CID 102066975
2-Methylheptadeca-6,8,10-triyn-2-ol
CID 129752002
2-Methylundec-6-yn-2-ol
CID 135039929
5,8-Diethyldodec-6-yne-5,8-diol
CID 225157

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol?
The IUPAC name of 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol (CID 140549645) is 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol.
What is the SMILES notation for 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol?
The canonical SMILES for 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol is CCCCC(C)(C#CC(C)(O)CCC(C)C)OC.
What is the InChIKey of 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol?
The InChIKey is QUWPAIMMAOIAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-8-10-16(5,18-6)13-12-15(4,17)11-9-14(2)3/h14,17H,7-11H2,1-6H3.
What are the key properties of 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol?
8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol has a molecular weight of 254.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,5,8-trimethyldodec-6-yn-5-ol is sourced from PubChem (CID 140549645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).