(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol

C20H22O2 — CID 124802180

IUPAC(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
SMILESO[C@]1([C@]2(O)C[C@@H]3C=C[C@@H]4C=C[C@H]2[C@@H]43)C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32
InChIInChI=1S/C20H22O2/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/h1-8,11-18,21-22H,9-10H2/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20+/m1/s1
InChIKeyMZOLIDFXFPSKBQ-GOAGHXCNSA-N
MW294.39 g/mol
LogP2.46
Rot. Bonds1

About (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol

(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol (PubChem CID 124802180) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
PubChem CID124802180
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
SMILESO[C@]1([C@]2(O)C[C@@H]3C=C[C@@H]4C=C[C@H]2[C@@H]43)C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32
InChIInChI=1S/C20H22O2/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/h1-8,11-18,21-22H,9-10H2/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20+/m1/s1
InChIKeyMZOLIDFXFPSKBQ-GOAGHXCNSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol with MolForge

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Related Compounds

CID 125033247
CID 125033247
(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
CID 99958168
8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene
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CID 89083200
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CID 163876540
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CID 100951206
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
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CID 100957910

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The IUPAC name of (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol (CID 124802180) is (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol.
What is the SMILES notation for (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The canonical SMILES for (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol is O[C@]1([C@]2(O)C[C@@H]3C=C[C@@H]4C=C[C@H]2[C@@H]43)C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32.
What is the InChIKey of (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The InChIKey is MZOLIDFXFPSKBQ-GOAGHXCNSA-N. The full InChI is InChI=1S/C20H22O2/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/h1-8,11-18,21-22H,9-10H2/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20+/m1/s1.
What are the key properties of (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol has a molecular weight of 294.39 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol is sourced from PubChem (CID 124802180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).