1,1-dimethoxy-3,3,5-trimethylcyclohexane

C11H22O2 — CID 10997755

IUPAC1,1-dimethoxy-3,3,5-trimethylcyclohexane
SMILESCOC1(OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C11H22O2/c1-9-6-10(2,3)8-11(7-9,12-4)13-5/h9H,6-8H2,1-5H3
InChIKeyVXPNKFVMGDNZRI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds2

About 1,1-dimethoxy-3,3,5-trimethylcyclohexane

1,1-dimethoxy-3,3,5-trimethylcyclohexane (PubChem CID 10997755) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1,1-dimethoxy-3,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-3,3,5-trimethylcyclohexane
PubChem CID10997755
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1,1-dimethoxy-3,3,5-trimethylcyclohexane
SMILESCOC1(OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C11H22O2/c1-9-6-10(2,3)8-11(7-9,12-4)13-5/h9H,6-8H2,1-5H3
InChIKeyVXPNKFVMGDNZRI-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3,3,5-trimethylcyclohexane?
The IUPAC name of 1,1-dimethoxy-3,3,5-trimethylcyclohexane (CID 10997755) is 1,1-dimethoxy-3,3,5-trimethylcyclohexane.
What is the SMILES notation for 1,1-dimethoxy-3,3,5-trimethylcyclohexane?
The canonical SMILES for 1,1-dimethoxy-3,3,5-trimethylcyclohexane is COC1(OC)CC(C)CC(C)(C)C1.
What is the InChIKey of 1,1-dimethoxy-3,3,5-trimethylcyclohexane?
The InChIKey is VXPNKFVMGDNZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9-6-10(2,3)8-11(7-9,12-4)13-5/h9H,6-8H2,1-5H3.
What are the key properties of 1,1-dimethoxy-3,3,5-trimethylcyclohexane?
1,1-dimethoxy-3,3,5-trimethylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3,3,5-trimethylcyclohexane is sourced from PubChem (CID 10997755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).