6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

C17H30O2 — CID 58945442

IUPAC6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCCC1(C)CC2(O)OC3(CC2C(C)C)C(C)CCC13
InChIInChI=1S/C17H30O2/c1-6-15(5)10-17(18)13(11(2)3)9-16(19-17)12(4)7-8-14(15)16/h11-14,18H,6-10H2,1-5H3
InChIKeyXJCNMJYHXDEMGG-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.97
Rot. Bonds2

About 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (PubChem CID 58945442) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID58945442
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCCC1(C)CC2(O)OC3(CC2C(C)C)C(C)CCC13
InChIInChI=1S/C17H30O2/c1-6-15(5)10-17(18)13(11(2)3)9-16(19-17)12(4)7-8-14(15)16/h11-14,18H,6-10H2,1-5H3
InChIKeyXJCNMJYHXDEMGG-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The IUPAC name of 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (CID 58945442) is 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.
What is the SMILES notation for 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The canonical SMILES for 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is CCC1(C)CC2(O)OC3(CC2C(C)C)C(C)CCC13.
What is the InChIKey of 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The InChIKey is XJCNMJYHXDEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-15(5)10-17(18)13(11(2)3)9-16(19-17)12(4)7-8-14(15)16/h11-14,18H,6-10H2,1-5H3.
What are the key properties of 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol has a molecular weight of 266.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is sourced from PubChem (CID 58945442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).