chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane

C10H18AlClO — CID 16687240

IUPACchloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane
SMILESC=C1CCC[C@@H](C)[C@@H]1CO[Al](C)Cl
InChIInChI=1S/C9H15O.CH3.Al.ClH/c1-7-4-3-5-8(2)9(7)6-10;;;/h8-9H,1,3-6H2,2H3;1H3;;1H/q-1;;+2;/p-1/t8-,9-;;;/m1.../s1
InChIKeyANPQGWVUMKEJIC-YDVRIUSYSA-M
MW216.69 g/mol
LogP3.35
Rot. Bonds3

About chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane

chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane (PubChem CID 16687240) has the molecular formula C10H18AlClO and a molecular weight of 216.69 g/mol. Its IUPAC name is chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane.

Molecular Properties

Compound Namechloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane
PubChem CID16687240
Molecular FormulaC10H18AlClO
Molecular Weight216.69 g/mol
Exact Mass216.09
IUPAC Namechloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane
SMILESC=C1CCC[C@@H](C)[C@@H]1CO[Al](C)Cl
InChIInChI=1S/C9H15O.CH3.Al.ClH/c1-7-4-3-5-8(2)9(7)6-10;;;/h8-9H,1,3-6H2,2H3;1H3;;1H/q-1;;+2;/p-1/t8-,9-;;;/m1.../s1
InChIKeyANPQGWVUMKEJIC-YDVRIUSYSA-M
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

chloro-methyl-[[(1S,2R)-2-methyl-5-methylidenecyclopentyl]methoxy]alumane
CID 16687078
Chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane
CID 16687129
Chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane
CID 16687132

Frequently Asked Questions

What is the IUPAC name of chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane?
The IUPAC name of chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane (CID 16687240) is chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane.
What is the SMILES notation for chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane?
The canonical SMILES for chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane is C=C1CCC[C@@H](C)[C@@H]1CO[Al](C)Cl.
What is the InChIKey of chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane?
The InChIKey is ANPQGWVUMKEJIC-YDVRIUSYSA-M. The full InChI is InChI=1S/C9H15O.CH3.Al.ClH/c1-7-4-3-5-8(2)9(7)6-10;;;/h8-9H,1,3-6H2,2H3;1H3;;1H/q-1;;+2;/p-1/t8-,9-;;;/m1.../s1.
What are the key properties of chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane?
chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane has a molecular weight of 216.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-[[(1S,2R)-2-methyl-6-methylidenecyclohexyl]methoxy]alumane is sourced from PubChem (CID 16687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).