3-methyl-3-propylhex-1-yn-1-ol

C10H18O — CID 151701950

IUPAC3-methyl-3-propylhex-1-yn-1-ol
SMILESCCCC(C)(C#CO)CCC
InChIInChI=1S/C10H18O/c1-4-6-10(3,7-5-2)8-9-11/h11H,4-7H2,1-3H3
InChIKeyREUFZMKSDQCWJF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-3-propylhex-1-yn-1-ol

3-methyl-3-propylhex-1-yn-1-ol (PubChem CID 151701950) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-3-propylhex-1-yn-1-ol.

Molecular Properties

Compound Name3-methyl-3-propylhex-1-yn-1-ol
PubChem CID151701950
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-3-propylhex-1-yn-1-ol
SMILESCCCC(C)(C#CO)CCC
InChIInChI=1S/C10H18O/c1-4-6-10(3,7-5-2)8-9-11/h11H,4-7H2,1-3H3
InChIKeyREUFZMKSDQCWJF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

Butylpentynol
CID 129819191
Trimethyl-1-pentynyl alcohol
CID 175665296
3,3-Dimethylhex-1-yn-1-ol
CID 18544814
3,3,4,4-Tetramethyldec-1-yn-1-ol
CID 21951185
2,6,6-Trimethylundec-3-yn-2-ol
CID 22961919
3,3,4-Trimethyldodec-1-yn-1-ol
CID 87560494
4-Ethyloct-1-yn-1-ol
CID 88637684
3,3-Dimethylhex-1-yn-1-ol;hydrate
CID 139751182
3-Propylhex-1-yn-1-ol
CID 139821029
3-Propylhept-1-yn-1-ol
CID 139821030
3,3-Diethylhex-1-yn-1-ol
CID 140296216
12,12-Dimethyltridec-1-yn-1-ol
CID 140556520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylhex-1-yn-1-ol?
The IUPAC name of 3-methyl-3-propylhex-1-yn-1-ol (CID 151701950) is 3-methyl-3-propylhex-1-yn-1-ol.
What is the SMILES notation for 3-methyl-3-propylhex-1-yn-1-ol?
The canonical SMILES for 3-methyl-3-propylhex-1-yn-1-ol is CCCC(C)(C#CO)CCC.
What is the InChIKey of 3-methyl-3-propylhex-1-yn-1-ol?
The InChIKey is REUFZMKSDQCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-10(3,7-5-2)8-9-11/h11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-3-propylhex-1-yn-1-ol?
3-methyl-3-propylhex-1-yn-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylhex-1-yn-1-ol is sourced from PubChem (CID 151701950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).