(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one

C13H20O2 — CID 1426479

IUPAC(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
SMILESO=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C2
InChIInChI=1S/C13H20O2/c14-12-9-4-3-6-11(12)13(15)7-2-1-5-10(13)8-9/h9-11,15H,1-8H2/t9-,10+,11-,13+/m0/s1
InChIKeyPDLKQXJZJXLNBA-SRRSOLGSSA-N
MW208.30 g/mol
LogP2.30
Rot. Bonds

About (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one

(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one (PubChem CID 1426479) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one.

Molecular Properties

Compound Name(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
PubChem CID1426479
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
SMILESO=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C2
InChIInChI=1S/C13H20O2/c14-12-9-4-3-6-11(12)13(15)7-2-1-5-10(13)8-9/h9-11,15H,1-8H2/t9-,10+,11-,13+/m0/s1
InChIKeyPDLKQXJZJXLNBA-SRRSOLGSSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one?
The IUPAC name of (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one (CID 1426479) is (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one.
What is the SMILES notation for (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one?
The canonical SMILES for (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one is O=C1[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1C2.
What is the InChIKey of (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one?
The InChIKey is PDLKQXJZJXLNBA-SRRSOLGSSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-9-4-3-6-11(12)13(15)7-2-1-5-10(13)8-9/h9-11,15H,1-8H2/t9-,10+,11-,13+/m0/s1.
What are the key properties of (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one?
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one has a molecular weight of 208.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one is sourced from PubChem (CID 1426479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).