(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one

C14H20O — CID 135044248

IUPAC(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
SMILESCC12C[C@@H]3C(=O)CCC4(CC[C@H]1C4)[C@@]32C
InChIInChI=1S/C14H20O/c1-12-8-10-11(15)4-6-14(13(10,12)2)5-3-9(12)7-14/h9-10H,3-8H2,1-2H3/t9-,10+,12?,13-,14?/m0/s1
InChIKeyBZVZRYFJJRLLOW-UIWDJTRQSA-N
MW204.31 g/mol
LogP3.18
Rot. Bonds

About (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one

(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one (PubChem CID 135044248) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one.

Molecular Properties

Compound Name(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
PubChem CID135044248
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
SMILESCC12C[C@@H]3C(=O)CCC4(CC[C@H]1C4)[C@@]32C
InChIInChI=1S/C14H20O/c1-12-8-10-11(15)4-6-14(13(10,12)2)5-3-9(12)7-14/h9-10H,3-8H2,1-2H3/t9-,10+,12?,13-,14?/m0/s1
InChIKeyBZVZRYFJJRLLOW-UIWDJTRQSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one with MolForge

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Related Compounds

(1S,4R,5S,7S,10R,11S)-5,10,11-trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
CID 11665700
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CID 58065052
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
CID 130754418
(1S,5S)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 12628084
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 140738374
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CID 143048731
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
2,3,3-trimethylcyclopentan-1-one
CID 12842713
(2aR,5aR,9aS)-5a-methyl-2,2a,4,5,6,7,8,9-octahydro-1H-cyclobuta[j]naphthalen-3-one
CID 14759938

Frequently Asked Questions

What is the IUPAC name of (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one?
The IUPAC name of (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one (CID 135044248) is (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one.
What is the SMILES notation for (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one?
The canonical SMILES for (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one is CC12C[C@@H]3C(=O)CCC4(CC[C@H]1C4)[C@@]32C.
What is the InChIKey of (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one?
The InChIKey is BZVZRYFJJRLLOW-UIWDJTRQSA-N. The full InChI is InChI=1S/C14H20O/c1-12-8-10-11(15)4-6-14(13(10,12)2)5-3-9(12)7-14/h9-10H,3-8H2,1-2H3/t9-,10+,12?,13-,14?/m0/s1.
What are the key properties of (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one?
(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one has a molecular weight of 204.31 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one is sourced from PubChem (CID 135044248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).