3-ethyl-7-methyloct-7-en-1-yn-3-ol

C11H18O — CID 163496685

IUPAC3-ethyl-7-methyloct-7-en-1-yn-3-ol
SMILESC#CC(O)(CC)CCCC(=C)C
InChIInChI=1S/C11H18O/c1-5-11(12,6-2)9-7-8-10(3)4/h1,12H,3,6-9H2,2,4H3
InChIKeyCRIJTSYFUCWABJ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.51
Rot. Bonds5

About 3-ethyl-7-methyloct-7-en-1-yn-3-ol

3-ethyl-7-methyloct-7-en-1-yn-3-ol (PubChem CID 163496685) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-ethyl-7-methyloct-7-en-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-7-methyloct-7-en-1-yn-3-ol
PubChem CID163496685
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-ethyl-7-methyloct-7-en-1-yn-3-ol
SMILESC#CC(O)(CC)CCCC(=C)C
InChIInChI=1S/C11H18O/c1-5-11(12,6-2)9-7-8-10(3)4/h1,12H,3,6-9H2,2,4H3
InChIKeyCRIJTSYFUCWABJ-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpent-4-yne-1,3-diol
CID 59660057
2-methylhept-1-en-6-yne
CID 10396805
3-ethyl-5-methylhept-1-yn-3-ol
CID 557731
2-methylhex-1-ene
CID 158402499
3-ethynyl-2-methyloct-1-en-3-ol
CID 71390392
2,10-dimethylundec-10-en-2-ol
CID 170848213
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
(5S,8R)-5,8-diethyldodec-6-yne-5,8-diol
CID 92529620
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
ethane;2-methylhept-1-ene
CID 143682307

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyloct-7-en-1-yn-3-ol?
The IUPAC name of 3-ethyl-7-methyloct-7-en-1-yn-3-ol (CID 163496685) is 3-ethyl-7-methyloct-7-en-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-7-methyloct-7-en-1-yn-3-ol?
The canonical SMILES for 3-ethyl-7-methyloct-7-en-1-yn-3-ol is C#CC(O)(CC)CCCC(=C)C.
What is the InChIKey of 3-ethyl-7-methyloct-7-en-1-yn-3-ol?
The InChIKey is CRIJTSYFUCWABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(12,6-2)9-7-8-10(3)4/h1,12H,3,6-9H2,2,4H3.
What are the key properties of 3-ethyl-7-methyloct-7-en-1-yn-3-ol?
3-ethyl-7-methyloct-7-en-1-yn-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyloct-7-en-1-yn-3-ol is sourced from PubChem (CID 163496685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).