3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C18H26O — CID 12019608

IUPAC3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCc1cc(C)c2c(c1)OC1(C(C)C)CCC(C)C2C1
InChIInChI=1S/C18H26O/c1-11(2)18-7-6-13(4)15(10-18)17-14(5)8-12(3)9-16(17)19-18/h8-9,11,13,15H,6-7,10H2,1-5H3
InChIKeyWYBPFFHWJDDAIP-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.99
Rot. Bonds1

About 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene

3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 12019608) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID12019608
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCc1cc(C)c2c(c1)OC1(C(C)C)CCC(C)C2C1
InChIInChI=1S/C18H26O/c1-11(2)18-7-6-13(4)15(10-18)17-14(5)8-12(3)9-16(17)19-18/h8-9,11,13,15H,6-7,10H2,1-5H3
InChIKeyWYBPFFHWJDDAIP-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 12019608) is 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene is Cc1cc(C)c2c(c1)OC1(C(C)C)CCC(C)C2C1.
What is the InChIKey of 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is WYBPFFHWJDDAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11(2)18-7-6-13(4)15(10-18)17-14(5)8-12(3)9-16(17)19-18/h8-9,11,13,15H,6-7,10H2,1-5H3.
What are the key properties of 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 258.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,12-trimethyl-9-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 12019608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).