2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane

C19H40O3 — CID 123504643

IUPAC2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane
SMILESCCC(C)OC(C)CC(C)(C)OC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C19H40O3/c1-11-15(4)21-17(6)13-19(9,10)22-18(7,8)12-16(5)20-14(2)3/h14-17H,11-13H2,1-10H3
InChIKeyBTAJQRRQYDZUME-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.36
Rot. Bonds11

About 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane

2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane (PubChem CID 123504643) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane.

Molecular Properties

Compound Name2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane
PubChem CID123504643
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Name2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane
SMILESCCC(C)OC(C)CC(C)(C)OC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C19H40O3/c1-11-15(4)21-17(6)13-19(9,10)22-18(7,8)12-16(5)20-14(2)3/h14-17H,11-13H2,1-10H3
InChIKeyBTAJQRRQYDZUME-UHFFFAOYSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminium hydrogen 2-methylpentane-2,4-bis(olate) (1/3/3)
CID 138397284
2,2,4-Trimethyl-1,3-bis(2-methylpropoxy)pentane
CID 6850793
2,4-Dimethoxy-2-methylpentane
CID 19080490
1-Butoxybutane;2-methylpentane-2,4-diol
CID 19966802
3-Butan-2-yloxy-3-methyl-1-propan-2-yloxybutane
CID 21960643
1,3-Dibutoxy-2,2,4-trimethylpentane
CID 22372600
2,4-Diethoxy-2,4-dimethylpentane
CID 22372602
2,4-Dibutoxy-2,4-dimethylpentane
CID 22372605
1-[4-(4-Methylpentoxy)butan-2-yloxy]hexane
CID 57015480
2-(3-Methoxy-3-methylbutoxy)-2-methylpentane
CID 57067616
2-Methyl-4-[4-(4-methylpentan-2-yloxy)butoxy]pentane
CID 57180763
2-Methyl-2-propan-2-yloxypentane
CID 59803923

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane?
The IUPAC name of 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane (CID 123504643) is 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane.
What is the SMILES notation for 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane?
The canonical SMILES for 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane is CCC(C)OC(C)CC(C)(C)OC(C)(C)CC(C)OC(C)C.
What is the InChIKey of 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane?
The InChIKey is BTAJQRRQYDZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3/c1-11-15(4)21-17(6)13-19(9,10)22-18(7,8)12-16(5)20-14(2)3/h14-17H,11-13H2,1-10H3.
What are the key properties of 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane?
2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane has a molecular weight of 316.53 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane is sourced from PubChem (CID 123504643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).