methane;tricyclo[5.2.1.02,6]decan-8-one

C11H18O — CID 162040407

IUPACmethane;tricyclo[5.2.1.02,6]decan-8-one
SMILESC.O=C1CC2CC1C1CCCC21
InChIInChI=1S/C10H14O.CH4/c11-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-9H,1-5H2;1H4
InChIKeyYXEYWWSHVJCIER-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About methane;tricyclo[5.2.1.02,6]decan-8-one

methane;tricyclo[5.2.1.02,6]decan-8-one (PubChem CID 162040407) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is methane;tricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Namemethane;tricyclo[5.2.1.02,6]decan-8-one
PubChem CID162040407
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namemethane;tricyclo[5.2.1.02,6]decan-8-one
SMILESC.O=C1CC2CC1C1CCCC21
InChIInChI=1S/C10H14O.CH4/c11-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-9H,1-5H2;1H4
InChIKeyYXEYWWSHVJCIER-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
CID 12555701
(Z,1R,2R,6R,7S)-N-[(Z)-[(1R,2R,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
CID 125027928
(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
CID 98628114
(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
CID 13462522
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(3aS,3bS,6aR,7aS)-1,2,3,3a,3b,4,6,6a,7,7a-decahydrocyclopenta[a]pentalen-5-one
CID 159431469
(1R,2R,6R,7R)-4-(4-oxocyclohexylidene)tricyclo[5.2.1.02,6]decan-8-one
CID 10657949
(1S,2S,6S,7S)-4-(4-oxocyclohexylidene)tricyclo[5.2.1.02,6]decan-8-one
CID 10634054
(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
CID 10654411
4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
CID 130126797

Frequently Asked Questions

What is the IUPAC name of methane;tricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of methane;tricyclo[5.2.1.02,6]decan-8-one (CID 162040407) is methane;tricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for methane;tricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for methane;tricyclo[5.2.1.02,6]decan-8-one is C.O=C1CC2CC1C1CCCC21.
What is the InChIKey of methane;tricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is YXEYWWSHVJCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.CH4/c11-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-9H,1-5H2;1H4.
What are the key properties of methane;tricyclo[5.2.1.02,6]decan-8-one?
methane;tricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 162040407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).