(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane

C8H14O — CID 155450472

IUPAC(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C8H14O/c1-6-4-7-2-3-8(5-6)9-7/h6-8H,2-5H2,1H3/t6?,7-,8+
InChIKeyCOZOSZVQVBXDPU-IEESLHIDSA-N
MW126.20 g/mol
LogP1.96
Rot. Bonds

About (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane

(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane (PubChem CID 155450472) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
PubChem CID155450472
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C8H14O/c1-6-4-7-2-3-8(5-6)9-7/h6-8H,2-5H2,1H3/t6?,7-,8+
InChIKeyCOZOSZVQVBXDPU-IEESLHIDSA-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

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Related Compounds

(5S)-3-methyl-6-oxabicyclo[3.1.1]heptane
CID 154522264
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 59747310
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
3-methyl-6-oxabicyclo[3.2.2]nonan-7-one
CID 123684123
3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane
CID 171937077
2-[2-methyl-4-(4-methylcyclohexyl)cyclohexyl]-6-oxabicyclo[3.1.1]heptane
CID 142043252
(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
CID 145014882
hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane
CID 20532219
10-oxabicyclo[5.2.1]decane
CID 118210101
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
CID 134213203

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane (CID 155450472) is (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is COZOSZVQVBXDPU-IEESLHIDSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-7-2-3-8(5-6)9-7/h6-8H,2-5H2,1H3/t6?,7-,8+.
What are the key properties of (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane?
(1S,5R)-3-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 (1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 155450472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).