methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane

C26H52O5 — CID 162219430

IUPACmethane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane
SMILESC.COC(C)(C)C1CCC(O)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H28O3.C10H20O2.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-10(2,12-3)8-4-6-9(11)7-5-8;/h12-14H,4-11H2,1-3H3;8-9,11H,4-7H2,1-3H3;1H4
InChIKeyZTXOZUGGFJHASK-UHFFFAOYSA-N
MW444.70 g/mol
LogP6.11
Rot. Bonds6

About methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane

methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane (PubChem CID 162219430) has the molecular formula C26H52O5 and a molecular weight of 444.70 g/mol. Its IUPAC name is methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane.

Molecular Properties

Compound Namemethane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane
PubChem CID162219430
Molecular FormulaC26H52O5
Molecular Weight444.70 g/mol
Exact Mass444.38
IUPAC Namemethane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane
SMILESC.COC(C)(C)C1CCC(O)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H28O3.C10H20O2.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-10(2,12-3)8-4-6-9(11)7-5-8;/h12-14H,4-11H2,1-3H3;8-9,11H,4-7H2,1-3H3;1H4
InChIKeyZTXOZUGGFJHASK-UHFFFAOYSA-N
XLogP6.11
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol
CID 158866533
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-cycloheptyloxyoxane
CID 11735764
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
4-(4-tert-butylcyclohexyl)oxycyclohexan-1-ol
CID 102283442
4-(2-cyclohexyloxypropan-2-yl)cyclohexan-1-ol
CID 163964872
2-(oxetan-3-yloxy)oxane
CID 54083112
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89385994
2-methoxyoxepane
CID 24974084

Frequently Asked Questions

What is the IUPAC name of methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane?
The IUPAC name of methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane (CID 162219430) is methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane.
What is the SMILES notation for methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane?
The canonical SMILES for methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane is C.COC(C)(C)C1CCC(O)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1.
What is the InChIKey of methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane?
The InChIKey is ZTXOZUGGFJHASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3.C10H20O2.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-10(2,12-3)8-4-6-9(11)7-5-8;/h12-14H,4-11H2,1-3H3;8-9,11H,4-7H2,1-3H3;1H4.
What are the key properties of methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane?
methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane has a molecular weight of 444.70 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane is sourced from PubChem (CID 162219430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).