3-ethyl-5-methylhept-1-yn-3-ol

C10H18O — CID 557731

IUPAC3-ethyl-5-methylhept-1-yn-3-ol
SMILESC#CC(O)(CC)CC(C)CC
InChIInChI=1S/C10H18O/c1-5-9(4)8-10(11,6-2)7-3/h2,9,11H,5,7-8H2,1,3-4H3
InChIKeyFMLRBVOUYLRDRV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.20
Rot. Bonds4

About 3-ethyl-5-methylhept-1-yn-3-ol

3-ethyl-5-methylhept-1-yn-3-ol (PubChem CID 557731) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-ethyl-5-methylhept-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-5-methylhept-1-yn-3-ol
PubChem CID557731
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-ethyl-5-methylhept-1-yn-3-ol
SMILESC#CC(O)(CC)CC(C)CC
InChIInChI=1S/C10H18O/c1-5-9(4)8-10(11,6-2)7-3/h2,9,11H,5,7-8H2,1,3-4H3
InChIKeyFMLRBVOUYLRDRV-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpent-4-yne-1,3-diol
CID 59660057
5-ethynyl-3,5-dimethyloctane
CID 101010362
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
3-ethyl-7-methyloct-7-en-1-yn-3-ol
CID 163496685
5-ethyl-7-methylnonane-3,5-diol
CID 87744133
3-ethyl-6,7-dimethyloct-4-yn-3-ol
CID 89115001
1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
CID 146003542
5-methylhex-1-yne-3,3-diol
CID 178069364
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
CID 12813395
2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
CID 123580868

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylhept-1-yn-3-ol?
The IUPAC name of 3-ethyl-5-methylhept-1-yn-3-ol (CID 557731) is 3-ethyl-5-methylhept-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-5-methylhept-1-yn-3-ol?
The canonical SMILES for 3-ethyl-5-methylhept-1-yn-3-ol is C#CC(O)(CC)CC(C)CC.
What is the InChIKey of 3-ethyl-5-methylhept-1-yn-3-ol?
The InChIKey is FMLRBVOUYLRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9(4)8-10(11,6-2)7-3/h2,9,11H,5,7-8H2,1,3-4H3.
What are the key properties of 3-ethyl-5-methylhept-1-yn-3-ol?
3-ethyl-5-methylhept-1-yn-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylhept-1-yn-3-ol is sourced from PubChem (CID 557731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).