2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol

C14H22O7 — CID 74834387

IUPAC2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol
SMILESCOC12CC3OC(C)(C1O)C1(O2)C(C)OC(O)CC31OC
InChIInChI=1S/C14H22O7/c1-7-14-11(2)10(16)13(18-4,21-14)5-8(20-11)12(14,17-3)6-9(15)19-7/h7-10,15-16H,5-6H2,1-4H3
InChIKeyIKYAAPKEBRREBQ-UHFFFAOYSA-N
MW302.32 g/mol
LogP-0.47
Rot. Bonds2

About 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol

2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol (PubChem CID 74834387) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol.

Molecular Properties

Compound Name2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol
PubChem CID74834387
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol
SMILESCOC12CC3OC(C)(C1O)C1(O2)C(C)OC(O)CC31OC
InChIInChI=1S/C14H22O7/c1-7-14-11(2)10(16)13(18-4,21-14)5-8(20-11)12(14,17-3)6-9(15)19-7/h7-10,15-16H,5-6H2,1-4H3
InChIKeyIKYAAPKEBRREBQ-UHFFFAOYSA-N
XLogP-0.47
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol?
The IUPAC name of 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol (CID 74834387) is 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol.
What is the SMILES notation for 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol?
The canonical SMILES for 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol is COC12CC3OC(C)(C1O)C1(O2)C(C)OC(O)CC31OC.
What is the InChIKey of 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol?
The InChIKey is IKYAAPKEBRREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-7-14-11(2)10(16)13(18-4,21-14)5-8(20-11)12(14,17-3)6-9(15)19-7/h7-10,15-16H,5-6H2,1-4H3.
What are the key properties of 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol?
2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol has a molecular weight of 302.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.02,7.07,11]tridecane-4,10-diol is sourced from PubChem (CID 74834387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).