1,1-dicyclopropylbut-2-yn-1-ol

C10H14O — CID 15047006

IUPAC1,1-dicyclopropylbut-2-yn-1-ol
SMILESCC#CC(O)(C1CC1)C1CC1
InChIInChI=1S/C10H14O/c1-2-7-10(11,8-3-4-8)9-5-6-9/h8-9,11H,3-6H2,1H3
InChIKeyVVIAFMOOQBDRGW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.56
Rot. Bonds2

About 1,1-dicyclopropylbut-2-yn-1-ol

1,1-dicyclopropylbut-2-yn-1-ol (PubChem CID 15047006) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,1-dicyclopropylbut-2-yn-1-ol.

Molecular Properties

Compound Name1,1-dicyclopropylbut-2-yn-1-ol
PubChem CID15047006
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,1-dicyclopropylbut-2-yn-1-ol
SMILESCC#CC(O)(C1CC1)C1CC1
InChIInChI=1S/C10H14O/c1-2-7-10(11,8-3-4-8)9-5-6-9/h8-9,11H,3-6H2,1H3
InChIKeyVVIAFMOOQBDRGW-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropylbut-2-yn-1-ol?
The IUPAC name of 1,1-dicyclopropylbut-2-yn-1-ol (CID 15047006) is 1,1-dicyclopropylbut-2-yn-1-ol.
What is the SMILES notation for 1,1-dicyclopropylbut-2-yn-1-ol?
The canonical SMILES for 1,1-dicyclopropylbut-2-yn-1-ol is CC#CC(O)(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropylbut-2-yn-1-ol?
The InChIKey is VVIAFMOOQBDRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-7-10(11,8-3-4-8)9-5-6-9/h8-9,11H,3-6H2,1H3.
What are the key properties of 1,1-dicyclopropylbut-2-yn-1-ol?
1,1-dicyclopropylbut-2-yn-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropylbut-2-yn-1-ol is sourced from PubChem (CID 15047006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).