(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one

C10H14O — CID 98059163

IUPAC(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one
SMILESO=C1C[C@@H]2C[C@H]3C[C@H](C2)[C@H]1C3
InChIInChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyBYLLPDFBHUIPKF-JQCXWYLXSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one

(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one (PubChem CID 98059163) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one.

Molecular Properties

Compound Name(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one
PubChem CID98059163
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one
SMILESO=C1C[C@@H]2C[C@H]3C[C@H](C2)[C@H]1C3
InChIInChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyBYLLPDFBHUIPKF-JQCXWYLXSA-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 (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one?
The IUPAC name of (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one (CID 98059163) is (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one.
What is the SMILES notation for (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one?
The canonical SMILES for (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one is O=C1C[C@@H]2C[C@H]3C[C@H](C2)[C@H]1C3.
What is the InChIKey of (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one?
The InChIKey is BYLLPDFBHUIPKF-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2/t6-,7+,8+,9+/m0/s1.
What are the key properties of (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one?
(1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-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 (1S,3R,6R,8R)-tricyclo[4.3.1.03,8]decan-4-one is sourced from PubChem (CID 98059163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).