(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol

C20H30O2 — CID 124806712

IUPAC(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol
SMILESO[C@@]1([C@]2(O)C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]32
InChIInChI=1S/C20H30O2/c21-19(9-13-3-1-11-5-7-15(19)17(11)13)20(22)10-14-4-2-12-6-8-16(20)18(12)14/h11-18,21-22H,1-10H2/t11-,12+,13-,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKeyRWAAWFINOVJONO-MKGFJRJYSA-N
MW302.46 g/mol
LogP3.36
Rot. Bonds1

About (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol

(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol (PubChem CID 124806712) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol.

Molecular Properties

Compound Name(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol
PubChem CID124806712
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol
SMILESO[C@@]1([C@]2(O)C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]32
InChIInChI=1S/C20H30O2/c21-19(9-13-3-1-11-5-7-15(19)17(11)13)20(22)10-14-4-2-12-6-8-16(20)18(12)14/h11-18,21-22H,1-10H2/t11-,12+,13-,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKeyRWAAWFINOVJONO-MKGFJRJYSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol?
The IUPAC name of (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol (CID 124806712) is (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol.
What is the SMILES notation for (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol?
The canonical SMILES for (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol is O[C@@]1([C@]2(O)C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]32.
What is the InChIKey of (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol?
The InChIKey is RWAAWFINOVJONO-MKGFJRJYSA-N. The full InChI is InChI=1S/C20H30O2/c21-19(9-13-3-1-11-5-7-15(19)17(11)13)20(22)10-14-4-2-12-6-8-16(20)18(12)14/h11-18,21-22H,1-10H2/t11-,12+,13-,14-,15-,16+,17+,18+,19-,20-/m0/s1.
What are the key properties of (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol?
(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol has a molecular weight of 302.46 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol is sourced from PubChem (CID 124806712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).