(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol

C15H24O2 — CID 139584129

IUPAC(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESC[C@@H]1CC[C@H]2[C@](C)(CO)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O2/c1-10-4-5-11-13(2,9-16)8-14(3)12(17)6-7-15(10,11)14/h6-7,10-12,16-17H,4-5,8-9H2,1-3H3/t10-,11+,12+,13+,14-,15+/m1/s1
InChIKeyABIJNHHCJOSVIF-DBWOOVFOSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds1

About (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol

(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol (PubChem CID 139584129) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol.

Molecular Properties

Compound Name(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
PubChem CID139584129
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESC[C@@H]1CC[C@H]2[C@](C)(CO)C[C@]3(C)[C@@H](O)C=C[C@]123
InChIInChI=1S/C15H24O2/c1-10-4-5-11-13(2,9-16)8-14(3)12(17)6-7-15(10,11)14/h6-7,10-12,16-17H,4-5,8-9H2,1-3H3/t10-,11+,12+,13+,14-,15+/m1/s1
InChIKeyABIJNHHCJOSVIF-DBWOOVFOSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
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,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The IUPAC name of (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol (CID 139584129) is (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol.
What is the SMILES notation for (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The canonical SMILES for (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol is C[C@@H]1CC[C@H]2[C@](C)(CO)C[C@]3(C)[C@@H](O)C=C[C@]123.
What is the InChIKey of (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The InChIKey is ABIJNHHCJOSVIF-DBWOOVFOSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-4-5-11-13(2,9-16)8-14(3)12(17)6-7-15(10,11)14/h6-7,10-12,16-17H,4-5,8-9H2,1-3H3/t10-,11+,12+,13+,14-,15+/m1/s1.
What are the key properties of (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
(1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,7R,8R,11R)-7-(hydroxymethyl)-5,7,11-trimethyltricyclo[6.3.0.01,5]undec-2-en-4-ol is sourced from PubChem (CID 139584129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).