methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C11H20O2 — CID 19002656

IUPACmethanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.CO
InChIInChI=1S/C10H16O.CH4O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h7H,4-6H2,1-3H3;2H,1H3
InChIKeyZMSCLYOHJSXREI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds

About methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 19002656) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Namemethanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID19002656
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.CO
InChIInChI=1S/C10H16O.CH4O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h7H,4-6H2,1-3H3;2H,1H3
InChIKeyZMSCLYOHJSXREI-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
terephthalic acid;bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
CID 158933619
phenol;selane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 172999582
azanium;methyl sulfate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 160904354
2-hydroxyethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162112079
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073

Frequently Asked Questions

What is the IUPAC name of methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 19002656) is methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(C)C.CO.
What is the InChIKey of methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is ZMSCLYOHJSXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.CH4O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h7H,4-6H2,1-3H3;2H,1H3.
What are the key properties of methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 19002656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).