6-methoxy-3,6,9-trimethyldec-4-yn-3-ol

C14H26O2 — CID 140524544

IUPAC6-methoxy-3,6,9-trimethyldec-4-yn-3-ol
SMILESCCC(C)(O)C#CC(C)(CCC(C)C)OC
InChIInChI=1S/C14H26O2/c1-7-13(4,15)10-11-14(5,16-6)9-8-12(2)3/h12,15H,7-9H2,1-6H3
InChIKeyURAPGPFNCFPWLQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds5

About 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol

6-methoxy-3,6,9-trimethyldec-4-yn-3-ol (PubChem CID 140524544) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol.

Molecular Properties

Compound Name6-methoxy-3,6,9-trimethyldec-4-yn-3-ol
PubChem CID140524544
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name6-methoxy-3,6,9-trimethyldec-4-yn-3-ol
SMILESCCC(C)(O)C#CC(C)(CCC(C)C)OC
InChIInChI=1S/C14H26O2/c1-7-13(4,15)10-11-14(5,16-6)9-8-12(2)3/h12,15H,7-9H2,1-6H3
InChIKeyURAPGPFNCFPWLQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
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

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3,6-Dimethyl-1-heptyn-3-ol
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3-Nonyne-1,5-diol, 5-methyl-
CID 15259
3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
CID 56817
4-Methyl-2-octyn-4-ol
CID 144663
1,4-Dimethylcyclododeca-5,11-diyne-1,4-diol
CID 85712065
2,4,7,9-Tetramethyldec-5-yne-1,4,7-triol
CID 88184229
2-Cyclopropyl-5-methoxy-5-methylhex-3-yn-2-ol
CID 13757539
5-Methylundec-6-yn-5-ol
CID 15252830
Meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol
CID 101703197
Rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol
CID 102066975

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol?
The IUPAC name of 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol (CID 140524544) is 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol.
What is the SMILES notation for 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol?
The canonical SMILES for 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol is CCC(C)(O)C#CC(C)(CCC(C)C)OC.
What is the InChIKey of 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol?
The InChIKey is URAPGPFNCFPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-13(4,15)10-11-14(5,16-6)9-8-12(2)3/h12,15H,7-9H2,1-6H3.
What are the key properties of 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol?
6-methoxy-3,6,9-trimethyldec-4-yn-3-ol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,6,9-trimethyldec-4-yn-3-ol is sourced from PubChem (CID 140524544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).