3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane

C15H26O — CID 20762812

IUPAC3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
SMILESCC1C2CC(CCC3CCOC3)C(C2)C1C
InChIInChI=1S/C15H26O/c1-10-11(2)15-8-14(10)7-13(15)4-3-12-5-6-16-9-12/h10-15H,3-9H2,1-2H3
InChIKeyQQQHTXMATBBNLI-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.73
Rot. Bonds3

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

3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane (PubChem CID 20762812) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
PubChem CID20762812
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
SMILESCC1C2CC(CCC3CCOC3)C(C2)C1C
InChIInChI=1S/C15H26O/c1-10-11(2)15-8-14(10)7-13(15)4-3-12-5-6-16-9-12/h10-15H,3-9H2,1-2H3
InChIKeyQQQHTXMATBBNLI-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Bis(methoxymethyl)bicyclo[2.2.1]heptane
CID 288663
2-(Methoxymethyl)bicyclo[2.2.1]heptane
CID 13807638
(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 68018096
2-[2-(Fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane
CID 58625654
2-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
CID 23555961
Spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]
CID 89718874
Camphancarbinolmethylather
CID 129628668
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate
CID 6451226
2-((3,3-Dimethylbicyclo(2.2.1)hept-2-yl)methyl)tetrahydrofuran
CID 44153081
(1S,2S,6R,7R)-2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]decane
CID 21676080
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane
CID 86251680
3-(Ethoxymethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 91700695

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane?
The IUPAC name of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane (CID 20762812) is 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane.
What is the SMILES notation for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane?
The canonical SMILES for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane is CC1C2CC(CCC3CCOC3)C(C2)C1C.
What is the InChIKey of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane?
The InChIKey is QQQHTXMATBBNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10-11(2)15-8-14(10)7-13(15)4-3-12-5-6-16-9-12/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane?
3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane has a molecular weight of 222.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane is sourced from PubChem (CID 20762812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).