7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

C15H24O3 — CID 75994701

IUPAC7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC1CCC2C1C(O)C1(C(C)C)CC(=O)C2(C)O1
InChIInChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-10,12-13,17H,5-7H2,1-4H3
InChIKeyBTRQNXZVTCELPJ-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.17
Rot. Bonds1

About 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (PubChem CID 75994701) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.

Molecular Properties

Compound Name7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
PubChem CID75994701
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC1CCC2C1C(O)C1(C(C)C)CC(=O)C2(C)O1
InChIInChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-10,12-13,17H,5-7H2,1-4H3
InChIKeyBTRQNXZVTCELPJ-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The IUPAC name of 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (CID 75994701) is 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.
What is the SMILES notation for 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The canonical SMILES for 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is CC1CCC2C1C(O)C1(C(C)C)CC(=O)C2(C)O1.
What is the InChIKey of 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The InChIKey is BTRQNXZVTCELPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-8(2)15-7-11(16)14(4,18-15)10-6-5-9(3)12(10)13(15)17/h8-10,12-13,17H,5-7H2,1-4H3.
What are the key properties of 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one has a molecular weight of 252.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is sourced from PubChem (CID 75994701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).