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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 104801466
2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222330
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79128848
8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 64784443
4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 11887854
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 98107604
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154

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).