2-prop-2-enyladamantan-2-ol

C13H20O — CID 11665558

IUPAC2-prop-2-enyladamantan-2-ol
SMILESC=CCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20O/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9/h2,9-12,14H,1,3-8H2
InChIKeyGEXWWEBYLJOWHA-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.75
Rot. Bonds2

About 2-prop-2-enyladamantan-2-ol

2-prop-2-enyladamantan-2-ol (PubChem CID 11665558) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-prop-2-enyladamantan-2-ol.

Molecular Properties

Compound Name2-prop-2-enyladamantan-2-ol
PubChem CID11665558
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-prop-2-enyladamantan-2-ol
SMILESC=CCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20O/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9/h2,9-12,14H,1,3-8H2
InChIKeyGEXWWEBYLJOWHA-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyladamantan-2-ol?
The IUPAC name of 2-prop-2-enyladamantan-2-ol (CID 11665558) is 2-prop-2-enyladamantan-2-ol.
What is the SMILES notation for 2-prop-2-enyladamantan-2-ol?
The canonical SMILES for 2-prop-2-enyladamantan-2-ol is C=CCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-prop-2-enyladamantan-2-ol?
The InChIKey is GEXWWEBYLJOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9/h2,9-12,14H,1,3-8H2.
What are the key properties of 2-prop-2-enyladamantan-2-ol?
2-prop-2-enyladamantan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyladamantan-2-ol is sourced from PubChem (CID 11665558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).