methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)

C65H135N3O2 — CID 167539935

IUPACmethane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)
SMILESC.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1
InChIInChI=1S/2C9H18.3C8H17N.C8H16O.C7H14O.C7H14.CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;/h2*8-9H,3-7H2,1-2H3;3*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;1H4
InChIKeyBAXILANJAWXJLG-UHFFFAOYSA-N
MW990.81 g/mol
LogP19.20
Rot. Bonds8

About methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)

methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) (PubChem CID 167539935) has the molecular formula C65H135N3O2 and a molecular weight of 990.81 g/mol. Its IUPAC name is methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine).

Molecular Properties

Compound Namemethane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)
PubChem CID167539935
Molecular FormulaC65H135N3O2
Molecular Weight990.81 g/mol
Exact Mass990.06
IUPAC Namemethane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)
SMILESC.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1
InChIInChI=1S/2C9H18.3C8H17N.C8H16O.C7H14O.C7H14.CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;/h2*8-9H,3-7H2,1-2H3;3*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;1H4
InChIKeyBAXILANJAWXJLG-UHFFFAOYSA-N
XLogP19.20
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.81
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane
CID 172563860
(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
CID 176594247
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
ethane;bis(propan-2-ylcyclopentane);2-propan-2-yl-1,3-dioxolane;4-propan-2-yl-1,3-dioxolane;2-propan-2-yl-1,3-oxazolidine;2-propan-2-yloxolane;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 161498767
methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol
CID 163970751
methane;propan-2-ylcyclotetradecane
CID 159882779
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1,4-di(propan-2-yl)piperidine
CID 21303253
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;methane;propan-2-ylcyclohexane
CID 169430642

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)?
The IUPAC name of methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) (CID 167539935) is methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine).
What is the SMILES notation for methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)?
The canonical SMILES for methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) is C.CC(C)C1CCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCO1.CC(C)C1CCCO1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.
What is the InChIKey of methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)?
The InChIKey is BAXILANJAWXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.3C8H17N.C8H16O.C7H14O.C7H14.CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;/h2*8-9H,3-7H2,1-2H3;3*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;1H4.
What are the key properties of methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)?
methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) has a molecular weight of 990.81 g/mol, XLogP of 19.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine) is sourced from PubChem (CID 167539935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).