(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol

C14H22O2 — CID 10398652

IUPAC(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol
SMILESCO[C@]12C=C3CCC(C)[C@@]3(CC1)C[C@@]2(C)O
InChIInChI=1S/C14H22O2/c1-10-4-5-11-8-14(16-3)7-6-13(10,11)9-12(14,2)15/h8,10,15H,4-7,9H2,1-3H3/t10?,12-,13-,14+/m1/s1
InChIKeyYIXXTCJEFUESBT-KNEGCTHCSA-N
MW222.33 g/mol
LogP2.66
Rot. Bonds1

About (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol

(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol (PubChem CID 10398652) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol.

Molecular Properties

Compound Name(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol
PubChem CID10398652
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol
SMILESCO[C@]12C=C3CCC(C)[C@@]3(CC1)C[C@@]2(C)O
InChIInChI=1S/C14H22O2/c1-10-4-5-11-8-14(16-3)7-6-13(10,11)9-12(14,2)15/h8,10,15H,4-7,9H2,1-3H3/t10?,12-,13-,14+/m1/s1
InChIKeyYIXXTCJEFUESBT-KNEGCTHCSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol?
The IUPAC name of (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol (CID 10398652) is (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol.
What is the SMILES notation for (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol?
The canonical SMILES for (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol is CO[C@]12C=C3CCC(C)[C@@]3(CC1)C[C@@]2(C)O.
What is the InChIKey of (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol?
The InChIKey is YIXXTCJEFUESBT-KNEGCTHCSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-4-5-11-8-14(16-3)7-6-13(10,11)9-12(14,2)15/h8,10,15H,4-7,9H2,1-3H3/t10?,12-,13-,14+/m1/s1.
What are the key properties of (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol?
(1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol has a molecular weight of 222.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8R)-7-methoxy-2,8-dimethyltricyclo[5.2.2.01,5]undec-5-en-8-ol is sourced from PubChem (CID 10398652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).