(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol

C11H20O2 — CID 130125496

IUPAC(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol
SMILESCOC12CCC(CC1)CC2(C)CO
InChIInChI=1S/C11H20O2/c1-10(8-12)7-9-3-5-11(10,13-2)6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyVPLDRSSTPKDJET-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds2

About (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol

(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol (PubChem CID 130125496) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol.

Molecular Properties

Compound Name(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol
PubChem CID130125496
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol
SMILESCOC12CCC(CC1)CC2(C)CO
InChIInChI=1S/C11H20O2/c1-10(8-12)7-9-3-5-11(10,13-2)6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyVPLDRSSTPKDJET-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7054243
(1-methoxycyclopropyl)methanol
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CID 134875418
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
(2S)-2-(benzenesulfonyl)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
CID 94035040
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 7109758
[2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 4633187
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol?
The IUPAC name of (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol (CID 130125496) is (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol.
What is the SMILES notation for (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol?
The canonical SMILES for (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol is COC12CCC(CC1)CC2(C)CO.
What is the InChIKey of (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol?
The InChIKey is VPLDRSSTPKDJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(8-12)7-9-3-5-11(10,13-2)6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol?
(1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methyl-2-bicyclo[2.2.2]octanyl)methanol is sourced from PubChem (CID 130125496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).