2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol

C12H18O2 — CID 10081346

IUPAC2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol
SMILESCC#CC1(O)CCC=C1OC(C)CC
InChIInChI=1S/C12H18O2/c1-4-8-12(13)9-6-7-11(12)14-10(3)5-2/h7,10,13H,5-6,9H2,1-3H3
InChIKeyIYYDYOKSKOFMPQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.23
Rot. Bonds3

About 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol

2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol (PubChem CID 10081346) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol
PubChem CID10081346
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol
SMILESCC#CC1(O)CCC=C1OC(C)CC
InChIInChI=1S/C12H18O2/c1-4-8-12(13)9-6-7-11(12)14-10(3)5-2/h7,10,13H,5-6,9H2,1-3H3
InChIKeyIYYDYOKSKOFMPQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol?
The IUPAC name of 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol (CID 10081346) is 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol?
The canonical SMILES for 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol is CC#CC1(O)CCC=C1OC(C)CC.
What is the InChIKey of 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol?
The InChIKey is IYYDYOKSKOFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-8-12(13)9-6-7-11(12)14-10(3)5-2/h7,10,13H,5-6,9H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol?
2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-prop-1-ynylcyclopent-2-en-1-ol is sourced from PubChem (CID 10081346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).