3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol

C10H18O2 — CID 58077825

IUPAC3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol
SMILESCC1CC2(O)CC(OC2C)C1C
InChIInChI=1S/C10H18O2/c1-6-4-10(11)5-9(7(6)2)12-8(10)3/h6-9,11H,4-5H2,1-3H3
InChIKeyMBKXMXALSIUOOK-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds

About 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol

3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 58077825) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol
PubChem CID58077825
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol
SMILESCC1CC2(O)CC(OC2C)C1C
InChIInChI=1S/C10H18O2/c1-6-4-10(11)5-9(7(6)2)12-8(10)3/h6-9,11H,4-5H2,1-3H3
InChIKeyMBKXMXALSIUOOK-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol with MolForge

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Related Compounds

(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
CID 134238067
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
1-[(1S,6S,8R,9R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 122434780
1-[(1S,3R,6S,8R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 134238063
(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
CID 58077834
2-methylcyclopropane-1,1-diol
CID 68932442
1,1,2,2,3,4,5-heptamethylcyclohexane
CID 91092757
3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 154329896
(1S,4S,5R,6S)-5-ethenyl-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 10583020
3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
CID 130941655
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
CID 130977742

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol (CID 58077825) is 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol is CC1CC2(O)CC(OC2C)C1C.
What is the InChIKey of 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is MBKXMXALSIUOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-4-10(11)5-9(7(6)2)12-8(10)3/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol?
3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 58077825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).