8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol

C9H16O2 — CID 522955

IUPAC8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol
SMILESCC1(C)C(O)C2CCCOC21
InChIInChI=1S/C9H16O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8,10H,3-5H2,1-2H3
InChIKeyOGUSPLVPTTWVRC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.18
Rot. Bonds

About 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol (PubChem CID 522955) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol
PubChem CID522955
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol
SMILESCC1(C)C(O)C2CCCOC21
InChIInChI=1S/C9H16O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8,10H,3-5H2,1-2H3
InChIKeyOGUSPLVPTTWVRC-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol?
The IUPAC name of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol (CID 522955) is 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol?
The canonical SMILES for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol is CC1(C)C(O)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol?
The InChIKey is OGUSPLVPTTWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol?
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol has a molecular weight of 156.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 522955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).