(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

C15H24O2 — CID 46243043

IUPAC(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC(C)[C@]12C=C3[C@H](C)CC[C@H]3[C@](C)(O1)[C@H](O)C2
InChIInChI=1S/C15H24O2/c1-9(2)15-7-11-10(3)5-6-12(11)14(4,17-15)13(16)8-15/h7,9-10,12-13,16H,5-6,8H2,1-4H3/t10-,12-,13-,14+,15-/m1/s1
InChIKeyGEJLXJUFFJZBNM-DVLUHMITSA-N
MW236.35 g/mol
LogP2.91
Rot. Bonds1

About (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (PubChem CID 46243043) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.

Molecular Properties

Compound Name(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
PubChem CID46243043
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC(C)[C@]12C=C3[C@H](C)CC[C@H]3[C@](C)(O1)[C@H](O)C2
InChIInChI=1S/C15H24O2/c1-9(2)15-7-11-10(3)5-6-12(11)14(4,17-15)13(16)8-15/h7,9-10,12-13,16H,5-6,8H2,1-4H3/t10-,12-,13-,14+,15-/m1/s1
InChIKeyGEJLXJUFFJZBNM-DVLUHMITSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.91
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 (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The IUPAC name of (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (CID 46243043) is (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.
What is the SMILES notation for (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The canonical SMILES for (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is CC(C)[C@]12C=C3[C@H](C)CC[C@H]3[C@](C)(O1)[C@H](O)C2.
What is the InChIKey of (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The InChIKey is GEJLXJUFFJZBNM-DVLUHMITSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)15-7-11-10(3)5-6-12(11)14(4,17-15)13(16)8-15/h7,9-10,12-13,16H,5-6,8H2,1-4H3/t10-,12-,13-,14+,15-/m1/s1.
What are the key properties of (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
(1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol has a molecular weight of 236.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is sourced from PubChem (CID 46243043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).