3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol

C20H28O — CID 70864200

IUPAC3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol
SMILESOC1CC2CCC=CC2=CC1C12CCCC1C1CCC2C1
InChIInChI=1S/C20H28O/c21-19-12-14-5-2-1-4-13(14)11-18(19)20-9-3-6-17(20)15-7-8-16(20)10-15/h1,4,11,14-19,21H,2-3,5-10,12H2
InChIKeySXQUISZWEHKCMH-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.48
Rot. Bonds1

About 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol

3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol (PubChem CID 70864200) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol
PubChem CID70864200
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol
SMILESOC1CC2CCC=CC2=CC1C12CCCC1C1CCC2C1
InChIInChI=1S/C20H28O/c21-19-12-14-5-2-1-4-13(14)11-18(19)20-9-3-6-17(20)15-7-8-16(20)10-15/h1,4,11,14-19,21H,2-3,5-10,12H2
InChIKeySXQUISZWEHKCMH-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol?
The IUPAC name of 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol (CID 70864200) is 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol is OC1CC2CCC=CC2=CC1C12CCCC1C1CCC2C1.
What is the InChIKey of 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol?
The InChIKey is SXQUISZWEHKCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c21-19-12-14-5-2-1-4-13(14)11-18(19)20-9-3-6-17(20)15-7-8-16(20)10-15/h1,4,11,14-19,21H,2-3,5-10,12H2.
What are the key properties of 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol?
3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol has a molecular weight of 284.44 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tricyclo[5.2.1.02,6]decanyl)-1,2,3,7,8,8a-hexahydronaphthalen-2-ol is sourced from PubChem (CID 70864200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).