2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C10H16O2 — CID 90799758

IUPAC2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2CC3C1OC(O)C3C2C
InChIInChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3
InChIKeyLQGMGZSPGSGEIE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds

About 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 90799758) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID90799758
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2CC3C1OC(O)C3C2C
InChIInChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3
InChIKeyLQGMGZSPGSGEIE-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-2-methyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile
CID 134342939
4-hydroxy-3-oxatricyclo[3.3.0.02,8]octane-6-carboxylic acid
CID 130305872
(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
CID 10654283
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
2-(5,6,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxirane
CID 22982993
6-methylbicyclo[3.1.0]hexane-2,3-diol
CID 162735404
(6S,13S)-5-methyl-4,12-dioxahexacyclo[7.5.0.02,7.03,6.010,14.011,13]tetradecane
CID 126605387
5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 89051022
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
CID 156633397
3-oxa-7-thiatetracyclo[3.3.1.02,4.06,8]nonane
CID 45120374

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 90799758) is 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is CC1C2CC3C1OC(O)C3C2C.
What is the InChIKey of 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is LQGMGZSPGSGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3.
What are the key properties of 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 168.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 90799758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).