8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol

C8H12O3 — CID 163557068

IUPAC8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol
SMILESCC1(C)C2C(O)OC3OC3C21
InChIInChI=1S/C8H12O3/c1-8(2)3-4(8)6(9)11-7-5(3)10-7/h3-7,9H,1-2H3
InChIKeyFNZJAVJDHVKPCI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.33
Rot. Bonds

About 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol

8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol (PubChem CID 163557068) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol.

Molecular Properties

Compound Name8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol
PubChem CID163557068
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol
SMILESCC1(C)C2C(O)OC3OC3C21
InChIInChI=1S/C8H12O3/c1-8(2)3-4(8)6(9)11-7-5(3)10-7/h3-7,9H,1-2H3
InChIKeyFNZJAVJDHVKPCI-UHFFFAOYSA-N
XLogP0.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol?
The IUPAC name of 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol (CID 163557068) is 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol.
What is the SMILES notation for 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol?
The canonical SMILES for 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol is CC1(C)C2C(O)OC3OC3C21.
What is the InChIKey of 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol?
The InChIKey is FNZJAVJDHVKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)3-4(8)6(9)11-7-5(3)10-7/h3-7,9H,1-2H3.
What are the key properties of 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol?
8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol has a molecular weight of 156.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol is sourced from PubChem (CID 163557068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).