tricyclo[6.3.1.01,6]dodecan-9-one

C12H18O — CID 130036870

IUPACtricyclo[6.3.1.01,6]dodecan-9-one
SMILESO=C1CCC23CCCCC2CC1C3
InChIInChI=1S/C12H18O/c13-11-4-6-12-5-2-1-3-10(12)7-9(11)8-12/h9-10H,1-8H2
InChIKeyWZXVBEHHVYMQRA-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.94
Rot. Bonds

About tricyclo[6.3.1.01,6]dodecan-9-one

tricyclo[6.3.1.01,6]dodecan-9-one (PubChem CID 130036870) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is tricyclo[6.3.1.01,6]dodecan-9-one.

Molecular Properties

Compound Nametricyclo[6.3.1.01,6]dodecan-9-one
PubChem CID130036870
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nametricyclo[6.3.1.01,6]dodecan-9-one
SMILESO=C1CCC23CCCCC2CC1C3
InChIInChI=1S/C12H18O/c13-11-4-6-12-5-2-1-3-10(12)7-9(11)8-12/h9-10H,1-8H2
InChIKeyWZXVBEHHVYMQRA-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,7R,10S)-2-methyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,6,13-trione
CID 11054878
(1R,6S,8R)-12-oxatricyclo[6.3.1.01,6]dodecan-9-one
CID 11819643
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
CID 98134055
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
CID 130826859
10-methylspiro[4.5]decan-8-one
CID 11116421
(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
CID 23258337
(1S,7R)-bicyclo[5.2.1]decane-2,6-dione
CID 10964881
bicyclo[5.2.1]decane-2,6-dione
CID 13115377
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
1a,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-one
CID 548904

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.3.1.01,6]dodecan-9-one?
The IUPAC name of tricyclo[6.3.1.01,6]dodecan-9-one (CID 130036870) is tricyclo[6.3.1.01,6]dodecan-9-one.
What is the SMILES notation for tricyclo[6.3.1.01,6]dodecan-9-one?
The canonical SMILES for tricyclo[6.3.1.01,6]dodecan-9-one is O=C1CCC23CCCCC2CC1C3.
What is the InChIKey of tricyclo[6.3.1.01,6]dodecan-9-one?
The InChIKey is WZXVBEHHVYMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-11-4-6-12-5-2-1-3-10(12)7-9(11)8-12/h9-10H,1-8H2.
What are the key properties of tricyclo[6.3.1.01,6]dodecan-9-one?
tricyclo[6.3.1.01,6]dodecan-9-one has a molecular weight of 178.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.3.1.01,6]dodecan-9-one is sourced from PubChem (CID 130036870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).