3-methyl-3-propylhept-1-yn-1-ol

C11H20O — CID 150195189

IUPAC3-methyl-3-propylhept-1-yn-1-ol
SMILESCCCCC(C)(C#CO)CCC
InChIInChI=1S/C11H20O/c1-4-6-8-11(3,7-5-2)9-10-12/h12H,4-8H2,1-3H3
InChIKeyFOHLDCIOYJBAEH-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.32
Rot. Bonds5

About 3-methyl-3-propylhept-1-yn-1-ol

3-methyl-3-propylhept-1-yn-1-ol (PubChem CID 150195189) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-3-propylhept-1-yn-1-ol.

Molecular Properties

Compound Name3-methyl-3-propylhept-1-yn-1-ol
PubChem CID150195189
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-3-propylhept-1-yn-1-ol
SMILESCCCCC(C)(C#CO)CCC
InChIInChI=1S/C11H20O/c1-4-6-8-11(3,7-5-2)9-10-12/h12H,4-8H2,1-3H3
InChIKeyFOHLDCIOYJBAEH-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.32
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
3,7,11-Trimethyldodec-1-yn-1-ol
CID 15894901
3-Ethyloct-1-yn-1-ol
CID 21116884
3,3,4,4-Tetramethyldec-1-yn-1-ol
CID 21951185
2,6,6-Trimethylundec-3-yn-2-ol
CID 22961919
3-(1-Butylcyclobutyl)prop-2-yn-1-ol
CID 69834521
3,3,4-Trimethyldodec-1-yn-1-ol
CID 87560494
4-Ethyloct-1-yn-1-ol
CID 88637684
3-Hexadecyl-3-octadecylhenicos-1-yn-1-ol
CID 88650940
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylhept-1-yn-1-ol?
The IUPAC name of 3-methyl-3-propylhept-1-yn-1-ol (CID 150195189) is 3-methyl-3-propylhept-1-yn-1-ol.
What is the SMILES notation for 3-methyl-3-propylhept-1-yn-1-ol?
The canonical SMILES for 3-methyl-3-propylhept-1-yn-1-ol is CCCCC(C)(C#CO)CCC.
What is the InChIKey of 3-methyl-3-propylhept-1-yn-1-ol?
The InChIKey is FOHLDCIOYJBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-8-11(3,7-5-2)9-10-12/h12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-3-propylhept-1-yn-1-ol?
3-methyl-3-propylhept-1-yn-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylhept-1-yn-1-ol is sourced from PubChem (CID 150195189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).