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

Name: 8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₂O₃ — CID 163557068

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol
PubChem CID	163557068
Molecular Formula	C₈H₁₂O₃
Molecular Weight	156.18 g/mol
Exact Mass	156.08
IUPAC Name	8,8-dimethyl-3,5-dioxatricyclo[5.1.0.02,4]octan-6-ol
SMILES	CC1(C)C2C(O)OC3OC3C21
InChI	InChI=1S/C8H12O3/c1-8(2)3-4(8)6(9)11-7-5(3)10-7/h3-7,9H,1-2H3
InChIKey	FNZJAVJDHVKPCI-UHFFFAOYSA-N
XLogP	0.33
TPSA	41.99 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	156.18
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 163557068 — identifiers, structure, computed properties (public domain)

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