10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene

C16H22O3 — CID 102455310

IUPAC10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
SMILESCOc1cc2c(c3c1OCC(C)CC3)OCCCC2
InChIInChI=1S/C16H22O3/c1-11-6-7-13-15-12(5-3-4-8-18-15)9-14(17-2)16(13)19-10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyCURCJQPCBWKLDJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.37
Rot. Bonds1

About 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene

10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene (PubChem CID 102455310) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene.

Molecular Properties

Compound Name10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
PubChem CID102455310
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
SMILESCOc1cc2c(c3c1OCC(C)CC3)OCCCC2
InChIInChI=1S/C16H22O3/c1-11-6-7-13-15-12(5-3-4-8-18-15)9-14(17-2)16(13)19-10-11/h9,11H,3-8,10H2,1-2H3
InChIKeyCURCJQPCBWKLDJ-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The IUPAC name of 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene (CID 102455310) is 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene.
What is the SMILES notation for 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The canonical SMILES for 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene is COc1cc2c(c3c1OCC(C)CC3)OCCCC2.
What is the InChIKey of 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The InChIKey is CURCJQPCBWKLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-6-7-13-15-12(5-3-4-8-18-15)9-14(17-2)16(13)19-10-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene has a molecular weight of 262.35 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-14-methyl-3,12-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene is sourced from PubChem (CID 102455310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).