tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one

C14H20O — CID 58165480

IUPACtetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
SMILESO=C1CC2C(C1)C1CC2C2CCCCC21
InChIInChI=1S/C14H20O/c15-8-5-11-12(6-8)14-7-13(11)9-3-1-2-4-10(9)14/h9-14H,1-7H2
InChIKeyAWMZAFRHAQWLMC-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.04
Rot. Bonds

About tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one

tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one (PubChem CID 58165480) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one.

Molecular Properties

Compound Nametetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
PubChem CID58165480
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nametetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
SMILESO=C1CC2C(C1)C1CC2C2CCCCC21
InChIInChI=1S/C14H20O/c15-8-5-11-12(6-8)14-7-13(11)9-3-1-2-4-10(9)14/h9-14H,1-7H2
InChIKeyAWMZAFRHAQWLMC-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one with MolForge

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Related Compounds

1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one;tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 158557679
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
(3aS,3bS,6aR,7aS)-1,2,3,3a,3b,4,6,6a,7,7a-decahydrocyclopenta[a]pentalen-5-one
CID 159431469
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
4-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 130036900
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
3,5,18-trimethylcyclononadecan-1-one
CID 71369920
11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
CID 121222238
10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one
CID 118943952
(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
CID 125495647
tricyclo[5.4.0.08,11]undecane
CID 176586412

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one?
The IUPAC name of tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one (CID 58165480) is tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one.
What is the SMILES notation for tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one?
The canonical SMILES for tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one is O=C1CC2C(C1)C1CC2C2CCCCC21.
What is the InChIKey of tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one?
The InChIKey is AWMZAFRHAQWLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-8-5-11-12(6-8)14-7-13(11)9-3-1-2-4-10(9)14/h9-14H,1-7H2.
What are the key properties of tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one?
tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one has a molecular weight of 204.31 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one is sourced from PubChem (CID 58165480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).