1,3-dicyclopropylpenta-1,4-diyn-3-ol

C11H12O — CID 87550926

IUPAC1,3-dicyclopropylpenta-1,4-diyn-3-ol
SMILESC#CC(O)(C#CC1CC1)C1CC1
InChIInChI=1S/C11H12O/c1-2-11(12,10-5-6-10)8-7-9-3-4-9/h1,9-10,12H,3-6H2
InChIKeyLXFCVWSLZUHZMS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.17
Rot. Bonds1

About 1,3-dicyclopropylpenta-1,4-diyn-3-ol

1,3-dicyclopropylpenta-1,4-diyn-3-ol (PubChem CID 87550926) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,3-dicyclopropylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name1,3-dicyclopropylpenta-1,4-diyn-3-ol
PubChem CID87550926
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1,3-dicyclopropylpenta-1,4-diyn-3-ol
SMILESC#CC(O)(C#CC1CC1)C1CC1
InChIInChI=1S/C11H12O/c1-2-11(12,10-5-6-10)8-7-9-3-4-9/h1,9-10,12H,3-6H2
InChIKeyLXFCVWSLZUHZMS-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.17
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

alpha-Ethynyl-alpha-methylcyclopropanemethanol
CID 199539
1,1-Dicyclopropyl-prop-2-YN-1-OL
CID 520109
2,4-Dicyclopropylbut-3-yn-2-ol
CID 12430225
2-Cyclopropyl-1-fluorobut-3-yn-2-ol
CID 117674359
2,5-Dicyclopropylhex-3-yne-2,5-diol
CID 277554
2-Cyclopropyl-4-pentyn-2-ol
CID 10654223
2-Cyclopropylpent-3-yn-2-ol
CID 12727412
1,1-Dicyclopropylbut-2-yn-1-ol
CID 15047006
1,1,1-Trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol
CID 118940455
2-Cyclopropyl-5-methylhex-3-yn-2-ol
CID 118967263
3-Cyclopropyl-4-methylpent-1-yn-3-ol
CID 151556372
(2S)-2-cyclopropylbut-3-yn-2-ol
CID 1382034

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropylpenta-1,4-diyn-3-ol?
The IUPAC name of 1,3-dicyclopropylpenta-1,4-diyn-3-ol (CID 87550926) is 1,3-dicyclopropylpenta-1,4-diyn-3-ol.
What is the SMILES notation for 1,3-dicyclopropylpenta-1,4-diyn-3-ol?
The canonical SMILES for 1,3-dicyclopropylpenta-1,4-diyn-3-ol is C#CC(O)(C#CC1CC1)C1CC1.
What is the InChIKey of 1,3-dicyclopropylpenta-1,4-diyn-3-ol?
The InChIKey is LXFCVWSLZUHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-11(12,10-5-6-10)8-7-9-3-4-9/h1,9-10,12H,3-6H2.
What are the key properties of 1,3-dicyclopropylpenta-1,4-diyn-3-ol?
1,3-dicyclopropylpenta-1,4-diyn-3-ol has a molecular weight of 160.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 87550926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).