(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one

C11H16O — CID 12061440

IUPAC(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@]23CCC[C@H]2CC[C@H]13
InChIInChI=1S/C11H16O/c12-10-5-7-11-6-1-2-8(11)3-4-9(10)11/h8-9H,1-7H2/t8-,9+,11+/m0/s1
InChIKeyZFKWPYVSPHZQTO-IQJOONFLSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds

About (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one

(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one (PubChem CID 12061440) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one.

Molecular Properties

Compound Name(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one
PubChem CID12061440
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@]23CCC[C@H]2CC[C@H]13
InChIInChI=1S/C11H16O/c12-10-5-7-11-6-1-2-8(11)3-4-9(10)11/h8-9H,1-7H2/t8-,9+,11+/m0/s1
InChIKeyZFKWPYVSPHZQTO-IQJOONFLSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142981632
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CID 57169070
1,1-di(cyclooctyl)cyclooctane
CID 23107007
(1R,6S,8R)-12-oxatricyclo[6.3.1.01,6]dodecan-9-one
CID 11819643
(1S,5R,6R,7R)-6-tert-butyltricyclo[5.4.0.01,5]undecan-8-one
CID 102446629
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 557031
tricyclo[6.3.1.01,6]dodecan-9-one
CID 130036870
1,6a-dimethyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 67388384
(3aR,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 59084008

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one?
The IUPAC name of (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one (CID 12061440) is (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one.
What is the SMILES notation for (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one?
The canonical SMILES for (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one is O=C1CC[C@]23CCC[C@H]2CC[C@H]13.
What is the InChIKey of (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one?
The InChIKey is ZFKWPYVSPHZQTO-IQJOONFLSA-N. The full InChI is InChI=1S/C11H16O/c12-10-5-7-11-6-1-2-8(11)3-4-9(10)11/h8-9H,1-7H2/t8-,9+,11+/m0/s1.
What are the key properties of (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one?
(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one has a molecular weight of 164.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one is sourced from PubChem (CID 12061440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).