1,1-di(propan-2-yloxy)cyclohexane

C12H24O2 — CID 11745673

IUPAC1,1-di(propan-2-yloxy)cyclohexane
SMILESCC(C)OC1(OC(C)C)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3
InChIKeyPLNTYOACSMHWBN-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds4

About 1,1-di(propan-2-yloxy)cyclohexane

1,1-di(propan-2-yloxy)cyclohexane (PubChem CID 11745673) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,1-di(propan-2-yloxy)cyclohexane.

Molecular Properties

Compound Name1,1-di(propan-2-yloxy)cyclohexane
PubChem CID11745673
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,1-di(propan-2-yloxy)cyclohexane
SMILESCC(C)OC1(OC(C)C)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3
InChIKeyPLNTYOACSMHWBN-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
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-di(propan-2-yloxy)cyclohexane?
The IUPAC name of 1,1-di(propan-2-yloxy)cyclohexane (CID 11745673) is 1,1-di(propan-2-yloxy)cyclohexane.
What is the SMILES notation for 1,1-di(propan-2-yloxy)cyclohexane?
The canonical SMILES for 1,1-di(propan-2-yloxy)cyclohexane is CC(C)OC1(OC(C)C)CCCCC1.
What is the InChIKey of 1,1-di(propan-2-yloxy)cyclohexane?
The InChIKey is PLNTYOACSMHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1-di(propan-2-yloxy)cyclohexane?
1,1-di(propan-2-yloxy)cyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yloxy)cyclohexane is sourced from PubChem (CID 11745673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).