9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

C17H22O2 — CID 2828570

IUPAC9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESCC1(C)OC2c3ccccc3OC3(C)CCC1CC23
InChIInChI=1S/C17H22O2/c1-16(2)11-8-9-17(3)13(10-11)15(19-16)12-6-4-5-7-14(12)18-17/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyYTVCRPDMRTXKHT-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.10
Rot. Bonds

About 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (PubChem CID 2828570) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
PubChem CID2828570
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESCC1(C)OC2c3ccccc3OC3(C)CCC1CC23
InChIInChI=1S/C17H22O2/c1-16(2)11-8-9-17(3)13(10-11)15(19-16)12-6-4-5-7-14(12)18-17/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyYTVCRPDMRTXKHT-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The IUPAC name of 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (CID 2828570) is 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.
What is the SMILES notation for 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The canonical SMILES for 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is CC1(C)OC2c3ccccc3OC3(C)CCC1CC23.
What is the InChIKey of 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The InChIKey is YTVCRPDMRTXKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-16(2)11-8-9-17(3)13(10-11)15(19-16)12-6-4-5-7-14(12)18-17/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene has a molecular weight of 258.36 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is sourced from PubChem (CID 2828570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).