1,1-dimethoxy-4,4-dimethylcyclohexane

C10H20O2 — CID 142082604

IUPAC1,1-dimethoxy-4,4-dimethylcyclohexane
SMILESCOC1(OC)CCC(C)(C)CC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-10(11-3,12-4)8-6-9/h5-8H2,1-4H3
InChIKeyNSSYQFVIAWJBAI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds2

About 1,1-dimethoxy-4,4-dimethylcyclohexane

1,1-dimethoxy-4,4-dimethylcyclohexane (PubChem CID 142082604) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-dimethoxy-4,4-dimethylcyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-4,4-dimethylcyclohexane
PubChem CID142082604
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,1-dimethoxy-4,4-dimethylcyclohexane
SMILESCOC1(OC)CCC(C)(C)CC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-10(11-3,12-4)8-6-9/h5-8H2,1-4H3
InChIKeyNSSYQFVIAWJBAI-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
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-4,4-dimethylcyclohexane?
The IUPAC name of 1,1-dimethoxy-4,4-dimethylcyclohexane (CID 142082604) is 1,1-dimethoxy-4,4-dimethylcyclohexane.
What is the SMILES notation for 1,1-dimethoxy-4,4-dimethylcyclohexane?
The canonical SMILES for 1,1-dimethoxy-4,4-dimethylcyclohexane is COC1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1,1-dimethoxy-4,4-dimethylcyclohexane?
The InChIKey is NSSYQFVIAWJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-7-10(11-3,12-4)8-6-9/h5-8H2,1-4H3.
What are the key properties of 1,1-dimethoxy-4,4-dimethylcyclohexane?
1,1-dimethoxy-4,4-dimethylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4,4-dimethylcyclohexane is sourced from PubChem (CID 142082604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).