(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane

C8H14O — CID 145014882

IUPAC(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CCC[C@@H]1O2
InChIInChI=1S/C8H14O/c1-6-5-7-3-2-4-8(6)9-7/h6-8H,2-5H2,1H3/t6-,7?,8+/m1/s1
InChIKeyHHSYFAZYLAUWAP-QUFPSDLASA-N
MW126.20 g/mol
LogP1.96
Rot. Bonds

About (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane

(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane (PubChem CID 145014882) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
PubChem CID145014882
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CCC[C@@H]1O2
InChIInChI=1S/C8H14O/c1-6-5-7-3-2-4-8(6)9-7/h6-8H,2-5H2,1H3/t6-,7?,8+/m1/s1
InChIKeyHHSYFAZYLAUWAP-QUFPSDLASA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
(1S,2R)-2-bromo-9-oxabicyclo[3.3.1]nonane
CID 130763635
(1R,2R,6R)-2-iodo-9-oxabicyclo[4.2.1]nonane
CID 94036968
2-[2-methyl-4-(4-methylcyclohexyl)cyclohexyl]-6-oxabicyclo[3.1.1]heptane
CID 142043252
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
CID 155450472
9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
CID 71338835
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane (CID 145014882) is (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane is C[C@@H]1CC2CCC[C@@H]1O2.
What is the InChIKey of (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is HHSYFAZYLAUWAP-QUFPSDLASA-N. The full InChI is InChI=1S/C8H14O/c1-6-5-7-3-2-4-8(6)9-7/h6-8H,2-5H2,1H3/t6-,7?,8+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane?
(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 126.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 145014882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).