2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

C8H14O2 — CID 15876938

IUPAC2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(O1)C(C)(O)C2
InChIInChI=1S/C8H14O2/c1-7-4-3-6(10-7)8(2,9)5-7/h6,9H,3-5H2,1-2H3
InChIKeyDBQOWBHLGSJCKN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds

About 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 15876938) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID15876938
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(O1)C(C)(O)C2
InChIInChI=1S/C8H14O2/c1-7-4-3-6(10-7)8(2,9)5-7/h6,9H,3-5H2,1-2H3
InChIKeyDBQOWBHLGSJCKN-UHFFFAOYSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 130151113
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
ethane;1-methyl-7-oxabicyclo[2.2.1]heptane
CID 142533479
(1S,2S,5S,6E,8R,10R,12S)-2,8,12-trimethyl-5-propan-2-yl-10-tri(propan-2-yl)silyloxy-15-oxabicyclo[10.2.1]pentadec-6-ene-2,8-diol
CID 25018687
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(1R,2R,5R)-2-ethenyl-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 11990949
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-ol
CID 5024745
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol
CID 102437455
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
(1R,5S)-1,4,4-trimethyl-3,8-dioxabicyclo[3.2.1]octan-2-ol
CID 130809034

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol (CID 15876938) is 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol is CC12CCC(O1)C(C)(O)C2.
What is the InChIKey of 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is DBQOWBHLGSJCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-4-3-6(10-7)8(2,9)5-7/h6,9H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol?
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 15876938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).