chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane

C9H16AlClO — CID 16687129

IUPACchloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane
SMILESC=C1CCCCC1CO[Al](C)Cl
InChIInChI=1S/C8H13O.CH3.Al.ClH/c1-7-4-2-3-5-8(7)6-9;;;/h8H,1-6H2;1H3;;1H/q-1;;+2;/p-1
InChIKeyCDBUHEOVLOEAFQ-UHFFFAOYSA-M
MW202.66 g/mol
LogP3.11
Rot. Bonds3

About chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane

chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane (PubChem CID 16687129) has the molecular formula C9H16AlClO and a molecular weight of 202.66 g/mol. Its IUPAC name is chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane.

Molecular Properties

Compound Namechloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane
PubChem CID16687129
Molecular FormulaC9H16AlClO
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Namechloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane
SMILESC=C1CCCCC1CO[Al](C)Cl
InChIInChI=1S/C8H13O.CH3.Al.ClH/c1-7-4-2-3-5-8(7)6-9;;;/h8H,1-6H2;1H3;;1H/q-1;;+2;/p-1
InChIKeyCDBUHEOVLOEAFQ-UHFFFAOYSA-M
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.11
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-methyl-[(2-methylidenecyclohexyl)methoxy]alumane?
The IUPAC name of chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane (CID 16687129) is chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane.
What is the SMILES notation for chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane?
The canonical SMILES for chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane is C=C1CCCCC1CO[Al](C)Cl.
What is the InChIKey of chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane?
The InChIKey is CDBUHEOVLOEAFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13O.CH3.Al.ClH/c1-7-4-2-3-5-8(7)6-9;;;/h8H,1-6H2;1H3;;1H/q-1;;+2;/p-1.
What are the key properties of chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane?
chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane has a molecular weight of 202.66 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-[(2-methylidenecyclohexyl)methoxy]alumane is sourced from PubChem (CID 16687129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).