(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

C11H12O — CID 124710584

IUPAC(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1[C@@H]2[C@@H]3C[C@@H]4[C@@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]41
InChIInChI=1S/C11H12O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-/m1/s1
InChIKeyXGWUKTZSTPLHEO-YNCSKHHMSA-N
MW160.22 g/mol
LogP1.33
Rot. Bonds

About (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (PubChem CID 124710584) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.

Molecular Properties

Compound Name(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
PubChem CID124710584
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1[C@@H]2[C@@H]3C[C@@H]4[C@@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]41
InChIInChI=1S/C11H12O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-/m1/s1
InChIKeyXGWUKTZSTPLHEO-YNCSKHHMSA-N
XLogP1.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,3R,5S,6S,7S,9R,10S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
CID 124710529
pentacyclo[5.5.0.02,6.03,10.05,9]dodecane-8,12-dione
CID 14639363
(1R,4S,5R,7S,8S,13S,14R,16S)-heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione
CID 100896530
(1S,2R,3S,5R,6S,7R,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 129463355
(1S,2S,3R,5S,6R,7R,8S,9R,10R)-7-bromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 99845185
(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one
CID 100970015
(6R,9S,17S,20S)-nonacyclo[13.6.2.14,11.16,9.117,20.02,14.03,12.05,10.016,21]hexacosan-13-one
CID 50908923
(1S,6S)-tricyclo[2.2.1.02,6]heptan-3-one
CID 6994514
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
CID 78226067
(1S,11R)-6,14-dioxahexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane-5,7,13,15-tetrone
CID 130369269
(1R,2S,3S,5R,6R,7S,9S,10S)-8-thiapentacyclo[5.4.0.02,6.03,10.05,9]undecan-11-one
CID 124785133
hexacyclo[6.4.0.02,11.03,7.05,9.010,12]dodecan-4-one
CID 130029183

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The IUPAC name of (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (CID 124710584) is (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
What is the SMILES notation for (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The canonical SMILES for (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is O=C1[C@@H]2[C@@H]3C[C@@H]4[C@@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]41.
What is the InChIKey of (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The InChIKey is XGWUKTZSTPLHEO-YNCSKHHMSA-N. The full InChI is InChI=1S/C11H12O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-/m1/s1.
What are the key properties of (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one has a molecular weight of 160.22 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is sourced from PubChem (CID 124710584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).