(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane

C10H12O2 — CID 53393744

IUPAC(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
SMILESC1C2OC2C2C1[C@H]1C[C@H]2C2OC21
InChIInChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2/t3?,4-,5-,6?,7?,8?,9?,10?/m1/s1
InChIKeyBQQUFAMSJAKLNB-XAODMRIHSA-N
MW164.20 g/mol
LogP0.81
Rot. Bonds

About (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane

(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane (PubChem CID 53393744) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane.

Molecular Properties

Compound Name(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
PubChem CID53393744
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
SMILESC1C2OC2C2C1[C@H]1C[C@H]2C2OC21
InChIInChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2/t3?,4-,5-,6?,7?,8?,9?,10?/m1/s1
InChIKeyBQQUFAMSJAKLNB-XAODMRIHSA-N
XLogP0.81
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane?
The IUPAC name of (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane (CID 53393744) is (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane.
What is the SMILES notation for (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane?
The canonical SMILES for (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane is C1C2OC2C2C1[C@H]1C[C@H]2C2OC21.
What is the InChIKey of (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane?
The InChIKey is BQQUFAMSJAKLNB-XAODMRIHSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2/t3?,4-,5-,6?,7?,8?,9?,10?/m1/s1.
What are the key properties of (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane?
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane has a molecular weight of 164.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane is sourced from PubChem (CID 53393744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).