[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol

C15H24O — CID 15973061

IUPAC[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol
SMILESC=C1C[C@@]23CC[C@H]1[C@@]2(C)CCC[C@@]3(C)CO
InChIInChI=1S/C15H24O/c1-11-9-15-8-5-12(11)14(15,3)7-4-6-13(15,2)10-16/h12,16H,1,4-10H2,2-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyNHYQMLCUEBFCEJ-LXTVHRRPSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds1

About [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol

[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol (PubChem CID 15973061) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol.

Molecular Properties

Compound Name[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol
PubChem CID15973061
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol
SMILESC=C1C[C@@]23CC[C@H]1[C@@]2(C)CCC[C@@]3(C)CO
InChIInChI=1S/C15H24O/c1-11-9-15-8-5-12(11)14(15,3)7-4-6-13(15,2)10-16/h12,16H,1,4-10H2,2-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyNHYQMLCUEBFCEJ-LXTVHRRPSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
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 [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol?
The IUPAC name of [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol (CID 15973061) is [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol.
What is the SMILES notation for [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol?
The canonical SMILES for [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol is C=C1C[C@@]23CC[C@H]1[C@@]2(C)CCC[C@@]3(C)CO.
What is the InChIKey of [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol?
The InChIKey is NHYQMLCUEBFCEJ-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H24O/c1-11-9-15-8-5-12(11)14(15,3)7-4-6-13(15,2)10-16/h12,16H,1,4-10H2,2-3H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol?
[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol is sourced from PubChem (CID 15973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).