(5S,7R)-3-prop-2-enyladamantan-1-ol

C13H20O — CID 102058393

IUPAC(5S,7R)-3-prop-2-enyladamantan-1-ol
SMILESC=CCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h2,10-11,14H,1,3-9H2/t10-,11+,12?,13?
InChIKeyAJAPMJMOKZLSIZ-MPEURRAXSA-N
MW192.30 g/mol
LogP2.89
Rot. Bonds2

About (5S,7R)-3-prop-2-enyladamantan-1-ol

(5S,7R)-3-prop-2-enyladamantan-1-ol (PubChem CID 102058393) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (5S,7R)-3-prop-2-enyladamantan-1-ol.

Molecular Properties

Compound Name(5S,7R)-3-prop-2-enyladamantan-1-ol
PubChem CID102058393
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(5S,7R)-3-prop-2-enyladamantan-1-ol
SMILESC=CCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h2,10-11,14H,1,3-9H2/t10-,11+,12?,13?
InChIKeyAJAPMJMOKZLSIZ-MPEURRAXSA-N
XLogP2.89
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 ≤ 52.89
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 (5S,7R)-3-prop-2-enyladamantan-1-ol?
The IUPAC name of (5S,7R)-3-prop-2-enyladamantan-1-ol (CID 102058393) is (5S,7R)-3-prop-2-enyladamantan-1-ol.
What is the SMILES notation for (5S,7R)-3-prop-2-enyladamantan-1-ol?
The canonical SMILES for (5S,7R)-3-prop-2-enyladamantan-1-ol is C=CCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-prop-2-enyladamantan-1-ol?
The InChIKey is AJAPMJMOKZLSIZ-MPEURRAXSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h2,10-11,14H,1,3-9H2/t10-,11+,12?,13?.
What are the key properties of (5S,7R)-3-prop-2-enyladamantan-1-ol?
(5S,7R)-3-prop-2-enyladamantan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-prop-2-enyladamantan-1-ol is sourced from PubChem (CID 102058393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).