2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane

C17H28O4 — CID 71217161

IUPAC2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane
SMILESCC1C(C)C2CC1C(OC1CCCO1)C2OC1CCCO1
InChIInChI=1S/C17H28O4/c1-10-11(2)13-9-12(10)16(20-14-5-3-7-18-14)17(13)21-15-6-4-8-19-15/h10-17H,3-9H2,1-2H3
InChIKeyALSMNWCBXXCXRW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds4

About 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane

2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane (PubChem CID 71217161) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane.

Molecular Properties

Compound Name2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane
PubChem CID71217161
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane
SMILESCC1C(C)C2CC1C(OC1CCCO1)C2OC1CCCO1
InChIInChI=1S/C17H28O4/c1-10-11(2)13-9-12(10)16(20-14-5-3-7-18-14)17(13)21-15-6-4-8-19-15/h10-17H,3-9H2,1-2H3
InChIKeyALSMNWCBXXCXRW-UHFFFAOYSA-N
XLogP2.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane?
The IUPAC name of 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane (CID 71217161) is 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane.
What is the SMILES notation for 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane?
The canonical SMILES for 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane is CC1C(C)C2CC1C(OC1CCCO1)C2OC1CCCO1.
What is the InChIKey of 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane?
The InChIKey is ALSMNWCBXXCXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-10-11(2)13-9-12(10)16(20-14-5-3-7-18-14)17(13)21-15-6-4-8-19-15/h10-17H,3-9H2,1-2H3.
What are the key properties of 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane?
2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane has a molecular weight of 296.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane is sourced from PubChem (CID 71217161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).