8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol

C13H18O — CID 63222407

IUPAC8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
SMILESC#CCC1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H18O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h1,9-12,14H,3-8H2
InChIKeyRKULCIPDFYOMOD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.20
Rot. Bonds1

About 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol

8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 63222407) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID63222407
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
SMILESC#CCC1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H18O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h1,9-12,14H,3-8H2
InChIKeyRKULCIPDFYOMOD-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.20
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 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol (CID 63222407) is 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol is C#CCC1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is RKULCIPDFYOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h1,9-12,14H,3-8H2.
What are the key properties of 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol?
8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 190.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 63222407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).