methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol

C30H58O6 — CID 158866533

IUPACmethane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol
SMILESC.CC(C)(O)C1CCC(OC2CCCCO2)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H28O3.C14H26O3.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-14(2,15)11-6-8-12(9-7-11)17-13-5-3-4-10-16-13;/h12-14H,4-11H2,1-3H3;11-13,15H,3-10H2,1-2H3;1H4
InChIKeyJBHNJIJCVAXIFH-UHFFFAOYSA-N
MW514.79 g/mol
LogP7.01
Rot. Bonds7

About methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol

methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol (PubChem CID 158866533) has the molecular formula C30H58O6 and a molecular weight of 514.79 g/mol. Its IUPAC name is methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Namemethane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol
PubChem CID158866533
Molecular FormulaC30H58O6
Molecular Weight514.79 g/mol
Exact Mass514.42
IUPAC Namemethane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol
SMILESC.CC(C)(O)C1CCC(OC2CCCCO2)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C15H28O3.C14H26O3.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-14(2,15)11-6-8-12(9-7-11)17-13-5-3-4-10-16-13;/h12-14H,4-11H2,1-3H3;11-13,15H,3-10H2,1-2H3;1H4
InChIKeyJBHNJIJCVAXIFH-UHFFFAOYSA-N
XLogP7.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.79
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane
CID 162219430
2-cycloheptyloxyoxane
CID 11735764
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(oxetan-3-yloxy)oxane
CID 54083112
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
2-methoxyoxepane
CID 24974084
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
2-cyclononadecylpropan-2-ol
CID 126587376
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol?
The IUPAC name of methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol (CID 158866533) is methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol.
What is the SMILES notation for methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol?
The canonical SMILES for methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol is C.CC(C)(O)C1CCC(OC2CCCCO2)CC1.COC(C)(C)C1CCC(OC2CCCCO2)CC1.
What is the InChIKey of methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol?
The InChIKey is JBHNJIJCVAXIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3.C14H26O3.CH4/c1-15(2,16-3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14;1-14(2,15)11-6-8-12(9-7-11)17-13-5-3-4-10-16-13;/h12-14H,4-11H2,1-3H3;11-13,15H,3-10H2,1-2H3;1H4.
What are the key properties of methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol?
methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol has a molecular weight of 514.79 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane;2-[4-(oxan-2-yloxy)cyclohexyl]propan-2-ol is sourced from PubChem (CID 158866533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).