7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one

C10H16O3 — CID 150051827

IUPAC7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(CO)CO
InChIInChI=1S/C10H16O3/c1-9-3-2-7(4-8(9)13)10(9,5-11)6-12/h7,11-12H,2-6H2,1H3
InChIKeyDLMGSNIIVWNODY-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.35
Rot. Bonds2

About 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one

7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one (PubChem CID 150051827) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
PubChem CID150051827
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(CO)CO
InChIInChI=1S/C10H16O3/c1-9-3-2-7(4-8(9)13)10(9,5-11)6-12/h7,11-12H,2-6H2,1H3
InChIKeyDLMGSNIIVWNODY-UHFFFAOYSA-N
XLogP0.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
methyl 3-[(1R,4S,7R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]propanoate
CID 124528585
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
[(1R,4R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 11180889
(1S,4S,7R)-7-(2-hydroxyethylsulfanylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 7140234
2-hydroxyethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162112079
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one (CID 150051827) is 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(CO)CO.
What is the InChIKey of 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one?
The InChIKey is DLMGSNIIVWNODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9-3-2-7(4-8(9)13)10(9,5-11)6-12/h7,11-12H,2-6H2,1H3.
What are the key properties of 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one?
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one has a molecular weight of 184.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 150051827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).