(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one

C14H24O2 — CID 12038768

IUPAC(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@H](CO)C(=O)[C@@H]1[C@H]2C
InChIInChI=1S/C14H24O2/c1-8(2)10-5-6-14(4)9(3)12(10)13(16)11(14)7-15/h8-12,15H,5-7H2,1-4H3/t9-,10-,11-,12-,14-/m1/s1
InChIKeyQPWQKMWDBMZDGX-CBLPJQPBSA-N
MW224.34 g/mol
LogP2.50
Rot. Bonds2

About (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one

(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one (PubChem CID 12038768) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one
PubChem CID12038768
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@H](CO)C(=O)[C@@H]1[C@H]2C
InChIInChI=1S/C14H24O2/c1-8(2)10-5-6-14(4)9(3)12(10)13(16)11(14)7-15/h8-12,15H,5-7H2,1-4H3/t9-,10-,11-,12-,14-/m1/s1
InChIKeyQPWQKMWDBMZDGX-CBLPJQPBSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one?
The IUPAC name of (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one (CID 12038768) is (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one.
What is the SMILES notation for (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one?
The canonical SMILES for (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one is CC(C)[C@H]1CC[C@@]2(C)[C@H](CO)C(=O)[C@@H]1[C@H]2C.
What is the InChIKey of (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one?
The InChIKey is QPWQKMWDBMZDGX-CBLPJQPBSA-N. The full InChI is InChI=1S/C14H24O2/c1-8(2)10-5-6-14(4)9(3)12(10)13(16)11(14)7-15/h8-12,15H,5-7H2,1-4H3/t9-,10-,11-,12-,14-/m1/s1.
What are the key properties of (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one?
(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one has a molecular weight of 224.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 12038768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).