(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one

C18H26O2 — CID 11414665

IUPAC(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one
SMILESC[C@@H]1C[C@@H]2[C@H]([C@@H]3C=CC[C@@H]4CC[C@H](O)[C@]41C3=O)C2(C)C
InChIInChI=1S/C18H26O2/c1-10-9-13-15(17(13,2)3)12-6-4-5-11-7-8-14(19)18(10,11)16(12)20/h4,6,10-15,19H,5,7-9H2,1-3H3/t10-,11-,12+,13-,14+,15+,18-/m1/s1
InChIKeySDWFOSCNYAGEIR-JGKJTGSKSA-N
MW274.40 g/mol
LogP3.20
Rot. Bonds

About (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one

(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one (PubChem CID 11414665) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one.

Molecular Properties

Compound Name(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one
PubChem CID11414665
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one
SMILESC[C@@H]1C[C@@H]2[C@H]([C@@H]3C=CC[C@@H]4CC[C@H](O)[C@]41C3=O)C2(C)C
InChIInChI=1S/C18H26O2/c1-10-9-13-15(17(13,2)3)12-6-4-5-11-7-8-14(19)18(10,11)16(12)20/h4,6,10-15,19H,5,7-9H2,1-3H3/t10-,11-,12+,13-,14+,15+,18-/m1/s1
InChIKeySDWFOSCNYAGEIR-JGKJTGSKSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one?
The IUPAC name of (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one (CID 11414665) is (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one.
What is the SMILES notation for (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one?
The canonical SMILES for (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one is C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=CC[C@@H]4CC[C@H](O)[C@]41C3=O)C2(C)C.
What is the InChIKey of (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one?
The InChIKey is SDWFOSCNYAGEIR-JGKJTGSKSA-N. The full InChI is InChI=1S/C18H26O2/c1-10-9-13-15(17(13,2)3)12-6-4-5-11-7-8-14(19)18(10,11)16(12)20/h4,6,10-15,19H,5,7-9H2,1-3H3/t10-,11-,12+,13-,14+,15+,18-/m1/s1.
What are the key properties of (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one?
(1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one has a molecular weight of 274.40 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,9S,10R,12R,14R)-2-hydroxy-11,11,14-trimethyltetracyclo[7.5.1.01,5.010,12]pentadec-7-en-15-one is sourced from PubChem (CID 11414665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).