2-oxatricyclo[5.4.0.04,8]undecane

C10H16O — CID 91210751

IUPAC2-oxatricyclo[5.4.0.04,8]undecane
SMILESC1CC2OCC3CCC2C3C1
InChIInChI=1S/C10H16O/c1-2-8-7-4-5-9(8)10(3-1)11-6-7/h7-10H,1-6H2
InChIKeyNUNDGVDIJQAQIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About 2-oxatricyclo[5.4.0.04,8]undecane

2-oxatricyclo[5.4.0.04,8]undecane (PubChem CID 91210751) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-oxatricyclo[5.4.0.04,8]undecane.

Molecular Properties

Compound Name2-oxatricyclo[5.4.0.04,8]undecane
PubChem CID91210751
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-oxatricyclo[5.4.0.04,8]undecane
SMILESC1CC2OCC3CCC2C3C1
InChIInChI=1S/C10H16O/c1-2-8-7-4-5-9(8)10(3-1)11-6-7/h7-10H,1-6H2
InChIKeyNUNDGVDIJQAQIN-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91128535
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
CID 166968771
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
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CID 59720902
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CID 145133460
tricyclo[4.4.0.02,8]decane
CID 585864
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
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(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
(1S,5R)-6-oxabicyclo[3.2.1]octane-8-carboxylic acid
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CID 146491977

Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[5.4.0.04,8]undecane?
The IUPAC name of 2-oxatricyclo[5.4.0.04,8]undecane (CID 91210751) is 2-oxatricyclo[5.4.0.04,8]undecane.
What is the SMILES notation for 2-oxatricyclo[5.4.0.04,8]undecane?
The canonical SMILES for 2-oxatricyclo[5.4.0.04,8]undecane is C1CC2OCC3CCC2C3C1.
What is the InChIKey of 2-oxatricyclo[5.4.0.04,8]undecane?
The InChIKey is NUNDGVDIJQAQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-8-7-4-5-9(8)10(3-1)11-6-7/h7-10H,1-6H2.
What are the key properties of 2-oxatricyclo[5.4.0.04,8]undecane?
2-oxatricyclo[5.4.0.04,8]undecane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[5.4.0.04,8]undecane is sourced from PubChem (CID 91210751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).