(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol

C8H14O2 — CID 138039578

IUPAC(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCCC12COC(CO)(C1)C2
InChIInChI=1S/C8H14O2/c1-2-7-3-8(4-7,5-9)10-6-7/h9H,2-6H2,1H3
InChIKeyFEBGNVHJCXQJHU-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds2

About (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol

(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol (PubChem CID 138039578) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
PubChem CID138039578
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
SMILESCCC12COC(CO)(C1)C2
InChIInChI=1S/C8H14O2/c1-2-7-3-8(4-7,5-9)10-6-7/h9H,2-6H2,1H3
InChIKeyFEBGNVHJCXQJHU-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
CID 138039579
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methanol
CID 19373389
(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 154853019
[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol
CID 53310343
[(2S)-2-fluorooxiran-2-yl]methanol
CID 141069449
4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
CID 3051637
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
CID 13210
(1S,5R)-7,7-diethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxylic acid
CID 102005142
[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid
CID 174158146
[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424065

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol?
The IUPAC name of (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol (CID 138039578) is (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol.
What is the SMILES notation for (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol?
The canonical SMILES for (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol is CCC12COC(CO)(C1)C2.
What is the InChIKey of (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol?
The InChIKey is FEBGNVHJCXQJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-7-3-8(4-7,5-9)10-6-7/h9H,2-6H2,1H3.
What are the key properties of (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol?
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol is sourced from PubChem (CID 138039578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).