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

C13H22O — CID 86251680

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane
SMILESCC1(C)C2CCC(C2)C1C1CCCO1
InChIInChI=1S/C13H22O/c1-13(2)10-6-5-9(8-10)12(13)11-4-3-7-14-11/h9-12H,3-8H2,1-2H3
InChIKeyWDDNSVWIDAYGHU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.24
Rot. Bonds1

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

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane (PubChem CID 86251680) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane
PubChem CID86251680
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane
SMILESCC1(C)C2CCC(C2)C1C1CCCO1
InChIInChI=1S/C13H22O/c1-13(2)10-6-5-9(8-10)12(13)11-4-3-7-14-11/h9-12H,3-8H2,1-2H3
InChIKeyWDDNSVWIDAYGHU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane with MolForge

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Related Compounds

Bicyclo(2.2.1)heptane-2-methanol, alpha,3,3-trimethyl-
CID 106672
2-Ethoxy-1,3,3-trimethylbicyclo(2.2.1)heptane
CID 106805
2-Methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
CID 557113
alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
CID 102770
1-(3,3-Dimethyl-bicyclo[2.2.1.]hept-2-yl)-propan-2-ol
CID 23321366
1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)-1-propanol
CID 4462927
2-(Methoxymethyl)bicyclo[2.2.1]heptane
CID 13807638
1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
CID 12386503
3-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolane
CID 20762812
2-(2,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-1,3-dioxolane
CID 20829154
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane (CID 86251680) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane is CC1(C)C2CCC(C2)C1C1CCCO1.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane?
The InChIKey is WDDNSVWIDAYGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2)10-6-5-9(8-10)12(13)11-4-3-7-14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane has a molecular weight of 194.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxolane is sourced from PubChem (CID 86251680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).