(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 10888022

IUPAC(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@]12CCC[C@](C)(OC1)O2
InChIInChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAZWKCIZRVUVZPX-JGVFFNPUSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds

About (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane

(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 10888022) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID10888022
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
SMILESC[C@]12CCC[C@](C)(OC1)O2
InChIInChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAZWKCIZRVUVZPX-JGVFFNPUSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane (CID 10888022) is (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane is C[C@]12CCC[C@](C)(OC1)O2.
What is the InChIKey of (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is AZWKCIZRVUVZPX-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane?
(1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 142.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 10888022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).