(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one

C10H14O — CID 13167045

IUPAC(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
SMILESO=C1CC[C@]23CCCC[C@]12C3
InChIInChI=1S/C10H14O/c11-8-3-6-9-4-1-2-5-10(8,9)7-9/h1-7H2/t9-,10-/m0/s1
InChIKeyZZHOIPXKSGRVSS-UWVGGRQHSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one

(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one (PubChem CID 13167045) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one.

Molecular Properties

Compound Name(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
PubChem CID13167045
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
SMILESO=C1CC[C@]23CCCC[C@]12C3
InChIInChI=1S/C10H14O/c11-8-3-6-9-4-1-2-5-10(8,9)7-9/h1-7H2/t9-,10-/m0/s1
InChIKeyZZHOIPXKSGRVSS-UWVGGRQHSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one?
The IUPAC name of (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one (CID 13167045) is (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one.
What is the SMILES notation for (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one?
The canonical SMILES for (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one is O=C1CC[C@]23CCCC[C@]12C3.
What is the InChIKey of (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one?
The InChIKey is ZZHOIPXKSGRVSS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H14O/c11-8-3-6-9-4-1-2-5-10(8,9)7-9/h1-7H2/t9-,10-/m0/s1.
What are the key properties of (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one?
(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one has a molecular weight of 150.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-tricyclo[4.3.1.01,6]decan-7-one is sourced from PubChem (CID 13167045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).