1,1-dimethoxy-2-propan-2-ylcyclohexane

C11H22O2 — CID 100962145

IUPAC1,1-dimethoxy-2-propan-2-ylcyclohexane
SMILESCOC1(OC)CCCCC1C(C)C
InChIInChI=1S/C11H22O2/c1-9(2)10-7-5-6-8-11(10,12-3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyPGDSUWRRLCMGMZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds3

About 1,1-dimethoxy-2-propan-2-ylcyclohexane

1,1-dimethoxy-2-propan-2-ylcyclohexane (PubChem CID 100962145) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1,1-dimethoxy-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-2-propan-2-ylcyclohexane
PubChem CID100962145
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1,1-dimethoxy-2-propan-2-ylcyclohexane
SMILESCOC1(OC)CCCCC1C(C)C
InChIInChI=1S/C11H22O2/c1-9(2)10-7-5-6-8-11(10,12-3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyPGDSUWRRLCMGMZ-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-2-propan-2-ylcyclohexane?
The IUPAC name of 1,1-dimethoxy-2-propan-2-ylcyclohexane (CID 100962145) is 1,1-dimethoxy-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1-dimethoxy-2-propan-2-ylcyclohexane?
The canonical SMILES for 1,1-dimethoxy-2-propan-2-ylcyclohexane is COC1(OC)CCCCC1C(C)C.
What is the InChIKey of 1,1-dimethoxy-2-propan-2-ylcyclohexane?
The InChIKey is PGDSUWRRLCMGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)10-7-5-6-8-11(10,12-3)13-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,1-dimethoxy-2-propan-2-ylcyclohexane?
1,1-dimethoxy-2-propan-2-ylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-propan-2-ylcyclohexane is sourced from PubChem (CID 100962145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).