(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one

C10H14O — CID 130853082

IUPAC(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1CC[C@@H]2C3CCC(C3)[C@H]12
InChIInChI=1S/C10H14O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-8,10H,1-5H2/t6?,7?,8-,10+/m1/s1
InChIKeyZTSNSBFZDXDTFS-VUMZSGCYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one

(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one (PubChem CID 130853082) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one
PubChem CID130853082
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1CC[C@@H]2C3CCC(C3)[C@H]12
InChIInChI=1S/C10H14O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-8,10H,1-5H2/t6?,7?,8-,10+/m1/s1
InChIKeyZTSNSBFZDXDTFS-VUMZSGCYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one (CID 130853082) is (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one is O=C1CC[C@@H]2C3CCC(C3)[C@H]12.
What is the InChIKey of (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is ZTSNSBFZDXDTFS-VUMZSGCYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-8,10H,1-5H2/t6?,7?,8-,10+/m1/s1.
What are the key properties of (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one?
(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-tricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 130853082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).