2-(2-cyclohexyloxypropoxy)propan-1-ol

C12H24O3 — CID 70182261

IUPAC2-(2-cyclohexyloxypropoxy)propan-1-ol
SMILESCC(CO)OCC(C)OC1CCCCC1
InChIInChI=1S/C12H24O3/c1-10(8-13)14-9-11(2)15-12-6-4-3-5-7-12/h10-13H,3-9H2,1-2H3
InChIKeyZQGCSCJWVDPFHX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-cyclohexyloxypropoxy)propan-1-ol

2-(2-cyclohexyloxypropoxy)propan-1-ol (PubChem CID 70182261) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2-cyclohexyloxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-cyclohexyloxypropoxy)propan-1-ol
PubChem CID70182261
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-(2-cyclohexyloxypropoxy)propan-1-ol
SMILESCC(CO)OCC(C)OC1CCCCC1
InChIInChI=1S/C12H24O3/c1-10(8-13)14-9-11(2)15-12-6-4-3-5-7-12/h10-13H,3-9H2,1-2H3
InChIKeyZQGCSCJWVDPFHX-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-cyclohexyloxypropoxy)propan-1-ol (CID 70182261) is 2-(2-cyclohexyloxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-cyclohexyloxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-cyclohexyloxypropoxy)propan-1-ol is CC(CO)OCC(C)OC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyloxypropoxy)propan-1-ol?
The InChIKey is ZQGCSCJWVDPFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(8-13)14-9-11(2)15-12-6-4-3-5-7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(2-cyclohexyloxypropoxy)propan-1-ol?
2-(2-cyclohexyloxypropoxy)propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxypropoxy)propan-1-ol is sourced from PubChem (CID 70182261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).