1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol

C10H16O2 — CID 71360956

IUPAC1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
SMILESC=C(C)C#CC(C)(O)CCOC
InChIInChI=1S/C10H16O2/c1-9(2)5-6-10(3,11)7-8-12-4/h11H,1,7-8H2,2-4H3
InChIKeyZUQVZKQPFDGFFH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds3

About 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol

1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol (PubChem CID 71360956) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol.

Molecular Properties

Compound Name1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
PubChem CID71360956
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
SMILESC=C(C)C#CC(C)(O)CCOC
InChIInChI=1S/C10H16O2/c1-9(2)5-6-10(3,11)7-8-12-4/h11H,1,7-8H2,2-4H3
InChIKeyZUQVZKQPFDGFFH-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
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

5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-methoxy-3,5-dimethylhex-4-en-3-ol
CID 79190335
sodium 2-hydroxy-4-methoxybutane-2-sulfonate
CID 103573923
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
2-bromo-4-methoxy-2-methylbutanenitrile
CID 83090478
2,4-dimethoxy-2-methylbutanenitrile
CID 66072771
N-(2-cyano-4-methoxybutan-2-yl)acetamide
CID 166604136
3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
CID 166803882
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
CID 22897553

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol?
The IUPAC name of 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol (CID 71360956) is 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol.
What is the SMILES notation for 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol?
The canonical SMILES for 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol is C=C(C)C#CC(C)(O)CCOC.
What is the InChIKey of 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol?
The InChIKey is ZUQVZKQPFDGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)5-6-10(3,11)7-8-12-4/h11H,1,7-8H2,2-4H3.
What are the key properties of 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol?
1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol is sourced from PubChem (CID 71360956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).