1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane

C20H38O3 — CID 145052440

IUPAC1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
SMILESCOC(C)COC1CCC(C(C)(C)C2CCC(OC)CC2)CC1
InChIInChI=1S/C20H38O3/c1-15(21-4)14-23-19-12-8-17(9-13-19)20(2,3)16-6-10-18(22-5)11-7-16/h15-19H,6-14H2,1-5H3
InChIKeyBHJKLTGHLXKVOC-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.83
Rot. Bonds7

About 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane

1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane (PubChem CID 145052440) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
PubChem CID145052440
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
SMILESCOC(C)COC1CCC(C(C)(C)C2CCC(OC)CC2)CC1
InChIInChI=1S/C20H38O3/c1-15(21-4)14-23-19-12-8-17(9-13-19)20(2,3)16-6-10-18(22-5)11-7-16/h15-19H,6-14H2,1-5H3
InChIKeyBHJKLTGHLXKVOC-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane?
The IUPAC name of 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane (CID 145052440) is 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane.
What is the SMILES notation for 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane?
The canonical SMILES for 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane is COC(C)COC1CCC(C(C)(C)C2CCC(OC)CC2)CC1.
What is the InChIKey of 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane?
The InChIKey is BHJKLTGHLXKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-15(21-4)14-23-19-12-8-17(9-13-19)20(2,3)16-6-10-18(22-5)11-7-16/h15-19H,6-14H2,1-5H3.
What are the key properties of 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane?
1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane has a molecular weight of 326.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane is sourced from PubChem (CID 145052440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).