(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane

C9H14O2 — CID 134992826

IUPAC(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane
SMILESC1CCC[C@@H]2OC23OC3CC1
InChIInChI=1S/C9H14O2/c1-2-4-6-8-9(11-8)7(10-9)5-3-1/h7-8H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyXDBBNLJBSXRCLF-UEJVZZJDSA-N
MW154.21 g/mol
LogP1.83
Rot. Bonds

About (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane

(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane (PubChem CID 134992826) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane.

Molecular Properties

Compound Name(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane
PubChem CID134992826
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane
SMILESC1CCC[C@@H]2OC23OC3CC1
InChIInChI=1S/C9H14O2/c1-2-4-6-8-9(11-8)7(10-9)5-3-1/h7-8H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyXDBBNLJBSXRCLF-UEJVZZJDSA-N
XLogP1.83
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 11052651
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CID 4694469
1-tert-butyl-13-oxabicyclo[10.1.0]tridecane
CID 139970626
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
1-ethenyl-9-oxabicyclo[6.1.0]nonane
CID 57483484
9-oxabicyclo[6.1.0]nonan-1-ylmethanol
CID 130147678
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
2,2-dicyclohexyl-1,3-dioxolane
CID 102096003
4-(2-cyclohexylethyl)-2,8-dioxatricyclo[5.1.0.01,3]octane-4-carboxylic acid
CID 174974555
3-cyclododecyl-2,2-dimethyloxirane
CID 84820740
1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
CID 173352851

Frequently Asked Questions

What is the IUPAC name of (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane?
The IUPAC name of (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane (CID 134992826) is (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane.
What is the SMILES notation for (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane?
The canonical SMILES for (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane is C1CCC[C@@H]2OC23OC3CC1.
What is the InChIKey of (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane?
The InChIKey is XDBBNLJBSXRCLF-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-4-6-8-9(11-8)7(10-9)5-3-1/h7-8H,1-6H2/t7-,8?,9?/m0/s1.
What are the key properties of (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane?
(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane has a molecular weight of 154.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane is sourced from PubChem (CID 134992826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).