(3R)-4-ethenyl-4-methyladamantan-1-ol

C13H20O — CID 166894667

IUPAC(3R)-4-ethenyl-4-methyladamantan-1-ol
SMILESC=CC1(C)C2CC3C[C@@H]1CC(O)(C3)C2
InChIInChI=1S/C13H20O/c1-3-12(2)10-4-9-5-11(12)8-13(14,6-9)7-10/h3,9-11,14H,1,4-8H2,2H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyLTTSBJNDAQBVDY-TZESXAPASA-N
MW192.30 g/mol
LogP2.75
Rot. Bonds1

About (3R)-4-ethenyl-4-methyladamantan-1-ol

(3R)-4-ethenyl-4-methyladamantan-1-ol (PubChem CID 166894667) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3R)-4-ethenyl-4-methyladamantan-1-ol.

Molecular Properties

Compound Name(3R)-4-ethenyl-4-methyladamantan-1-ol
PubChem CID166894667
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3R)-4-ethenyl-4-methyladamantan-1-ol
SMILESC=CC1(C)C2CC3C[C@@H]1CC(O)(C3)C2
InChIInChI=1S/C13H20O/c1-3-12(2)10-4-9-5-11(12)8-13(14,6-9)7-10/h3,9-11,14H,1,4-8H2,2H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyLTTSBJNDAQBVDY-TZESXAPASA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (3R)-4-ethenyl-4-methyladamantan-1-ol?
The IUPAC name of (3R)-4-ethenyl-4-methyladamantan-1-ol (CID 166894667) is (3R)-4-ethenyl-4-methyladamantan-1-ol.
What is the SMILES notation for (3R)-4-ethenyl-4-methyladamantan-1-ol?
The canonical SMILES for (3R)-4-ethenyl-4-methyladamantan-1-ol is C=CC1(C)C2CC3C[C@@H]1CC(O)(C3)C2.
What is the InChIKey of (3R)-4-ethenyl-4-methyladamantan-1-ol?
The InChIKey is LTTSBJNDAQBVDY-TZESXAPASA-N. The full InChI is InChI=1S/C13H20O/c1-3-12(2)10-4-9-5-11(12)8-13(14,6-9)7-10/h3,9-11,14H,1,4-8H2,2H3/t9?,10-,11?,12?,13?/m1/s1.
What are the key properties of (3R)-4-ethenyl-4-methyladamantan-1-ol?
(3R)-4-ethenyl-4-methyladamantan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethenyl-4-methyladamantan-1-ol is sourced from PubChem (CID 166894667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).