methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)

C50H112O5 — CID 157334579

IUPACmethane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)
SMILESC.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C.CCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24O.2C10H22O.2C9H20O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;2*1-7-9(8(2)3)11-10(4,5)6;2*1-6-8(7-2)10-9(3,4)5;/h9-10H,7-8H2,1-6H3;2*8-9H,7H2,1-6H3;2*8H,6-7H2,1-5H3;1H4
InChIKeyBFRNCXQZFVPXPX-UHFFFAOYSA-N
MW793.44 g/mol
LogP16.71
Rot. Bonds16

About methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)

methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) (PubChem CID 157334579) has the molecular formula C50H112O5 and a molecular weight of 793.44 g/mol. Its IUPAC name is methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane).

Molecular Properties

Compound Namemethane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)
PubChem CID157334579
Molecular FormulaC50H112O5
Molecular Weight793.44 g/mol
Exact Mass792.85
IUPAC Namemethane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)
SMILESC.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C.CCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24O.2C10H22O.2C9H20O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;2*1-7-9(8(2)3)11-10(4,5)6;2*1-6-8(7-2)10-9(3,4)5;/h9-10H,7-8H2,1-6H3;2*8-9H,7H2,1-6H3;2*8H,6-7H2,1-5H3;1H4
InChIKeyBFRNCXQZFVPXPX-UHFFFAOYSA-N
XLogP16.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.44
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)?
The IUPAC name of methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) (CID 157334579) is methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane).
What is the SMILES notation for methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)?
The canonical SMILES for methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) is C.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C.CCC(OC(C)(C)C)C(C)C.
What is the InChIKey of methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)?
The InChIKey is BFRNCXQZFVPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.2C10H22O.2C9H20O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;2*1-7-9(8(2)3)11-10(4,5)6;2*1-6-8(7-2)10-9(3,4)5;/h9-10H,7-8H2,1-6H3;2*8-9H,7H2,1-6H3;2*8H,6-7H2,1-5H3;1H4.
What are the key properties of methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane)?
methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) has a molecular weight of 793.44 g/mol, XLogP of 16.71, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;bis(2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane);bis(3-[(2-methylpropan-2-yl)oxy]pentane) is sourced from PubChem (CID 157334579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).