chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane

C11H20AlClO — CID 16687132

IUPACchloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane
SMILESC=C1CCCC(C)(C)C1CO[Al](C)Cl
InChIInChI=1S/C10H17O.CH3.Al.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;;;/h9H,1,4-7H2,2-3H3;1H3;;1H/q-1;;+2;/p-1
InChIKeyDKCGKZPPCLPWDA-UHFFFAOYSA-M
MW230.71 g/mol
LogP3.74
Rot. Bonds3

About chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane

chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane (PubChem CID 16687132) has the molecular formula C11H20AlClO and a molecular weight of 230.71 g/mol. Its IUPAC name is chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane.

Molecular Properties

Compound Namechloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane
PubChem CID16687132
Molecular FormulaC11H20AlClO
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Namechloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane
SMILESC=C1CCCC(C)(C)C1CO[Al](C)Cl
InChIInChI=1S/C10H17O.CH3.Al.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;;;/h9H,1,4-7H2,2-3H3;1H3;;1H/q-1;;+2;/p-1
InChIKeyDKCGKZPPCLPWDA-UHFFFAOYSA-M
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane?
The IUPAC name of chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane (CID 16687132) is chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane.
What is the SMILES notation for chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane?
The canonical SMILES for chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane is C=C1CCCC(C)(C)C1CO[Al](C)Cl.
What is the InChIKey of chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane?
The InChIKey is DKCGKZPPCLPWDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17O.CH3.Al.ClH/c1-8-5-4-6-10(2,3)9(8)7-11;;;/h9H,1,4-7H2,2-3H3;1H3;;1H/q-1;;+2;/p-1.
What are the key properties of chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane?
chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane has a molecular weight of 230.71 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2,2-dimethyl-6-methylidenecyclohexyl)methoxy]-methylalumane is sourced from PubChem (CID 16687132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).