dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane

C10H19AlCl2O — CID 16695980

IUPACdichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Al](Cl)Cl
InChIInChI=1S/C10H19O.Al.2ClH/c1-7(2)9-5-4-8(3)6-10(9)11;;;/h7-10H,4-6H2,1-3H3;;2*1H/q-1;+3;;/p-2/t8-,9+,10-;;;/m1.../s1
InChIKeyJQCVRBYBLQPAEI-CEBLYQJUSA-L
MW253.15 g/mol
LogP3.93
Rot. Bonds3

About dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane

dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane (PubChem CID 16695980) has the molecular formula C10H19AlCl2O and a molecular weight of 253.15 g/mol. Its IUPAC name is dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane.

Molecular Properties

Compound Namedichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
PubChem CID16695980
Molecular FormulaC10H19AlCl2O
Molecular Weight253.15 g/mol
Exact Mass252.06
IUPAC Namedichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Al](Cl)Cl
InChIInChI=1S/C10H19O.Al.2ClH/c1-7(2)9-5-4-8(3)6-10(9)11;;;/h7-10H,4-6H2,1-3H3;;2*1H/q-1;+3;;/p-2/t8-,9+,10-;;;/m1.../s1
InChIKeyJQCVRBYBLQPAEI-CEBLYQJUSA-L
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphinite
CID 101185774
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302

Frequently Asked Questions

What is the IUPAC name of dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane?
The IUPAC name of dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane (CID 16695980) is dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane.
What is the SMILES notation for dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane?
The canonical SMILES for dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Al](Cl)Cl.
What is the InChIKey of dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane?
The InChIKey is JQCVRBYBLQPAEI-CEBLYQJUSA-L. The full InChI is InChI=1S/C10H19O.Al.2ClH/c1-7(2)9-5-4-8(3)6-10(9)11;;;/h7-10H,4-6H2,1-3H3;;2*1H/q-1;+3;;/p-2/t8-,9+,10-;;;/m1.../s1.
What are the key properties of dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane?
dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane has a molecular weight of 253.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane is sourced from PubChem (CID 16695980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).