1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane

C17H30N2O4 — CID 54378134

IUPAC1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane
SMILESCOC1CCC(C(C)(C)C2CCC(OC)C(N=O)C2)CC1N=O
InChIInChI=1S/C17H30N2O4/c1-17(2,11-5-7-15(22-3)13(9-11)18-20)12-6-8-16(23-4)14(10-12)19-21/h11-16H,5-10H2,1-4H3
InChIKeyUXZYRZQAWNESRN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.91
Rot. Bonds6

About 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane

1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane (PubChem CID 54378134) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane
PubChem CID54378134
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane
SMILESCOC1CCC(C(C)(C)C2CCC(OC)C(N=O)C2)CC1N=O
InChIInChI=1S/C17H30N2O4/c1-17(2,11-5-7-15(22-3)13(9-11)18-20)12-6-8-16(23-4)14(10-12)19-21/h11-16H,5-10H2,1-4H3
InChIKeyUXZYRZQAWNESRN-UHFFFAOYSA-N
XLogP3.91
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-2-nitrosocyclohexane
CID 57035696
[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate
CID 23158021
[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol
CID 153437712
tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
CID 143402030
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980
2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
CID 164590091
[2-methoxy-5-[2-[4-[4-[3-(4-methyl-3-phosphonocyclohexanecarbonyl)cyclohexanecarbonyl]-2-phosphonocyclohexyl]oxy-3-phosphonocyclohexyl]propan-2-yl]cyclohexyl]phosphonic acid
CID 140510315
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
1-tert-butyl-2,4-dimethoxycyclohexane
CID 140726408
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
1,3-ditert-butylcyclopentane;ethane
CID 161179598
1-[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxycyclohexyl]-N-iodomethanamine
CID 162551967

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane?
The IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane (CID 54378134) is 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane is COC1CCC(C(C)(C)C2CCC(OC)C(N=O)C2)CC1N=O.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane?
The InChIKey is UXZYRZQAWNESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,11-5-7-15(22-3)13(9-11)18-20)12-6-8-16(23-4)14(10-12)19-21/h11-16H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane?
1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane has a molecular weight of 326.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane is sourced from PubChem (CID 54378134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).