[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol

C11H20O2 — CID 139754075

IUPAC[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1CC2CC1C(CO)(CO)C2C
InChIInChI=1S/C11H20O2/c1-7-3-9-4-10(7)11(5-12,6-13)8(9)2/h7-10,12-13H,3-6H2,1-2H3
InChIKeyKHBBUYCSUJKHMN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.27
Rot. Bonds2

About [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol

[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 139754075) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID139754075
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1CC2CC1C(CO)(CO)C2C
InChIInChI=1S/C11H20O2/c1-7-3-9-4-10(7)11(5-12,6-13)8(9)2/h7-10,12-13H,3-6H2,1-2H3
InChIKeyKHBBUYCSUJKHMN-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
[1-[(dimethylamino)methyl]-2,3-dimethylcyclopropyl]methanol
CID 175977285
2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane
CID 123468958
3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane
CID 123539438
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
CID 23268682
(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol (CID 139754075) is [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol is CC1CC2CC1C(CO)(CO)C2C.
What is the InChIKey of [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is KHBBUYCSUJKHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-3-9-4-10(7)11(5-12,6-13)8(9)2/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol?
[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 184.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 139754075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).