1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol

C14H22O — CID 102142055

IUPAC1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1C(CCCC)=C1CCCC
InChIInChI=1S/C14H22O/c1-4-7-9-11-12(10-8-5-2)14(11)13(15)6-3/h3,13-15H,4-5,7-10H2,1-2H3
InChIKeyQTHPLZLTYJMIOZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.29
Rot. Bonds7

About 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol

1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol (PubChem CID 102142055) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol
PubChem CID102142055
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1C(CCCC)=C1CCCC
InChIInChI=1S/C14H22O/c1-4-7-9-11-12(10-8-5-2)14(11)13(15)6-3/h3,13-15H,4-5,7-10H2,1-2H3
InChIKeyQTHPLZLTYJMIOZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.29
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

4-Ethynyl-3,5,5-trimethylcyclohex-3-en-1-ol
CID 14631296
1-[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]but-3-yn-2-ol
CID 44463911
4,7,8-Trimethylnon-7-en-2-ol
CID 227631
(R)-4-ethynyl-3,5,5-trimethyl-3-cyclohexen-1-ol
CID 11378684
(2,3-Dibutylcycloprop-2-en-1-yl)methanol
CID 21524189
4-Methyl-1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-ol
CID 44541972
1-(2-Butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol
CID 102142056
(2-Ethyl-3-hexylcycloprop-2-en-1-yl)methanol
CID 102457489
(2-Hexyl-3-methylcycloprop-2-en-1-yl)methanol
CID 102457490
(2,3-Dihexylcycloprop-2-en-1-yl)methanol
CID 102457492
(2S)-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-ol
CID 130607855
(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol
CID 134904251

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol (CID 102142055) is 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol is C#CC(O)C1C(CCCC)=C1CCCC.
What is the InChIKey of 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
The InChIKey is QTHPLZLTYJMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-7-9-11-12(10-8-5-2)14(11)13(15)6-3/h3,13-15H,4-5,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol?
1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibutylcycloprop-2-en-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 102142055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).