(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol

C9H16O2 — CID 130151113

IUPAC(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCC12CCC(O1)C(C)(CO)C2
InChIInChI=1S/C9H16O2/c1-8(6-10)5-9(2)4-3-7(8)11-9/h7,10H,3-6H2,1-2H3
InChIKeySXTAREGKSBSXLW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds1

About (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol

(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol (PubChem CID 130151113) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
PubChem CID130151113
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCC12CCC(O1)C(C)(CO)C2
InChIInChI=1S/C9H16O2/c1-8(6-10)5-9(2)4-3-7(8)11-9/h7,10H,3-6H2,1-2H3
InChIKeySXTAREGKSBSXLW-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(1,2-dimethylcyclopentyl)methanol
CID 544196
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
CID 86080734
(2S,3S)-2-(hydroxymethyl)-2,6,6-trimethyloxan-3-ol
CID 23244380
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
2-(1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetic acid
CID 167313981
2-(1-methyl-2-oxabicyclo[2.2.2]octan-3-yl)acetic acid
CID 12842623
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The IUPAC name of (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol (CID 130151113) is (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol.
What is the SMILES notation for (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The canonical SMILES for (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol is CC12CCC(O1)C(C)(CO)C2.
What is the InChIKey of (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The InChIKey is SXTAREGKSBSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(6-10)5-9(2)4-3-7(8)11-9/h7,10H,3-6H2,1-2H3.
What are the key properties of (2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 1 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-yl)methanol is sourced from PubChem (CID 130151113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).