9,10-dioxatricyclo[4.3.1.03,8]decane

C8H12O2 — CID 54547886

IUPAC9,10-dioxatricyclo[4.3.1.03,8]decane
SMILESC1CC2CC3OC1CC2O3
InChIInChI=1S/C8H12O2/c1-2-6-4-7-5(1)3-8(9-6)10-7/h5-8H,1-4H2
InChIKeyZHVJJXJRGRZNNW-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.30
Rot. Bonds

About 9,10-dioxatricyclo[4.3.1.03,8]decane

9,10-dioxatricyclo[4.3.1.03,8]decane (PubChem CID 54547886) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 9,10-dioxatricyclo[4.3.1.03,8]decane.

Molecular Properties

Compound Name9,10-dioxatricyclo[4.3.1.03,8]decane
PubChem CID54547886
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name9,10-dioxatricyclo[4.3.1.03,8]decane
SMILESC1CC2CC3OC1CC2O3
InChIInChI=1S/C8H12O2/c1-2-6-4-7-5(1)3-8(9-6)10-7/h5-8H,1-4H2
InChIKeyZHVJJXJRGRZNNW-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
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CID 73357616
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
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(1S,2S,4R,5S,7R,9S,11R)-4-bromo-8,14,15-trioxatetracyclo[9.2.1.12,5.07,9]pentadecane
CID 101239536
2-[2-methyl-4-(4-methylcyclohexyl)cyclohexyl]-6-oxabicyclo[3.1.1]heptane
CID 142043252
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
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(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
CID 98043746
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
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CID 80719537

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxatricyclo[4.3.1.03,8]decane?
The IUPAC name of 9,10-dioxatricyclo[4.3.1.03,8]decane (CID 54547886) is 9,10-dioxatricyclo[4.3.1.03,8]decane.
What is the SMILES notation for 9,10-dioxatricyclo[4.3.1.03,8]decane?
The canonical SMILES for 9,10-dioxatricyclo[4.3.1.03,8]decane is C1CC2CC3OC1CC2O3.
What is the InChIKey of 9,10-dioxatricyclo[4.3.1.03,8]decane?
The InChIKey is ZHVJJXJRGRZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-4-7-5(1)3-8(9-6)10-7/h5-8H,1-4H2.
What are the key properties of 9,10-dioxatricyclo[4.3.1.03,8]decane?
9,10-dioxatricyclo[4.3.1.03,8]decane has a molecular weight of 140.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxatricyclo[4.3.1.03,8]decane is sourced from PubChem (CID 54547886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).