(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one

C18H30O3 — CID 101067882

IUPAC(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one
SMILESC[C@H]1CCOC(=O)[C@@]2(C3CCCCC3)O[C@H](CC1)C2(C)C
InChIInChI=1S/C18H30O3/c1-13-9-10-15-17(2,3)18(21-15,16(19)20-12-11-13)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3/t13-,15-,18-/m1/s1
InChIKeyWMBWENBLGDYATC-DDUZABMNSA-N
MW294.44 g/mol
LogP4.09
Rot. Bonds1

About (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one

(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one (PubChem CID 101067882) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one.

Molecular Properties

Compound Name(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one
PubChem CID101067882
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one
SMILESC[C@H]1CCOC(=O)[C@@]2(C3CCCCC3)O[C@H](CC1)C2(C)C
InChIInChI=1S/C18H30O3/c1-13-9-10-15-17(2,3)18(21-15,16(19)20-12-11-13)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3/t13-,15-,18-/m1/s1
InChIKeyWMBWENBLGDYATC-DDUZABMNSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one?
The IUPAC name of (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one (CID 101067882) is (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one.
What is the SMILES notation for (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one?
The canonical SMILES for (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one is C[C@H]1CCOC(=O)[C@@]2(C3CCCCC3)O[C@H](CC1)C2(C)C.
What is the InChIKey of (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one?
The InChIKey is WMBWENBLGDYATC-DDUZABMNSA-N. The full InChI is InChI=1S/C18H30O3/c1-13-9-10-15-17(2,3)18(21-15,16(19)20-12-11-13)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3/t13-,15-,18-/m1/s1.
What are the key properties of (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one?
(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one has a molecular weight of 294.44 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one is sourced from PubChem (CID 101067882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).