1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one

C19H30O3 — CID 162416551

IUPAC1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
SMILESCC12CCC(=O)C(C1OC1CCCCO1)C1(C)CCCC21C
InChIInChI=1S/C19H30O3/c1-17-9-6-10-19(17,3)18(2)11-8-13(20)15(17)16(18)22-14-7-4-5-12-21-14/h14-16H,4-12H2,1-3H3
InChIKeyUKOZBBDQRDGJPK-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.09
Rot. Bonds2

About 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one

1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one (PubChem CID 162416551) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one.

Molecular Properties

Compound Name1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
PubChem CID162416551
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one
SMILESCC12CCC(=O)C(C1OC1CCCCO1)C1(C)CCCC21C
InChIInChI=1S/C19H30O3/c1-17-9-6-10-19(17,3)18(2)11-8-13(20)15(17)16(18)22-14-7-4-5-12-21-14/h14-16H,4-12H2,1-3H3
InChIKeyUKOZBBDQRDGJPK-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The IUPAC name of 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one (CID 162416551) is 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one.
What is the SMILES notation for 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The canonical SMILES for 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one is CC12CCC(=O)C(C1OC1CCCCO1)C1(C)CCCC21C.
What is the InChIKey of 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
The InChIKey is UKOZBBDQRDGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-17-9-6-10-19(17,3)18(2)11-8-13(20)15(17)16(18)22-14-7-4-5-12-21-14/h14-16H,4-12H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one?
1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one has a molecular weight of 306.45 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-11-(oxan-2-yloxy)tricyclo[5.3.1.02,6]undecan-8-one is sourced from PubChem (CID 162416551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).