2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C9H14O3 — CID 73196942

IUPAC2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1C(O)CC2OCC1O2
InChIInChI=1S/C9H14O3/c1-2-3-6-7(10)4-9-11-5-8(6)12-9/h2,6-10H,1,3-5H2
InChIKeyCQTYZVKUXCVXCO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.68
Rot. Bonds2

About 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 73196942) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID73196942
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC=CCC1C(O)CC2OCC1O2
InChIInChI=1S/C9H14O3/c1-2-3-6-7(10)4-9-11-5-8(6)12-9/h2,6-10H,1,3-5H2
InChIKeyCQTYZVKUXCVXCO-UHFFFAOYSA-N
XLogP0.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 73196942) is 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is C=CCC1C(O)CC2OCC1O2.
What is the InChIKey of 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is CQTYZVKUXCVXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-6-7(10)4-9-11-5-8(6)12-9/h2,6-10H,1,3-5H2.
What are the key properties of 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 170.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 73196942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).