3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane

C19H40O — CID 144561168

IUPAC3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane
SMILESCCC(C)CC(CC)C(CC)COC(C)C(C)(C)CC
InChIInChI=1S/C19H40O/c1-9-15(5)13-17(10-2)18(11-3)14-20-16(6)19(7,8)12-4/h15-18H,9-14H2,1-8H3
InChIKeyNIKUBRDAOFERDY-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.32
Rot. Bonds11

About 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane

3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane (PubChem CID 144561168) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane.

Molecular Properties

Compound Name3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane
PubChem CID144561168
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane
SMILESCCC(C)CC(CC)C(CC)COC(C)C(C)(C)CC
InChIInChI=1S/C19H40O/c1-9-15(5)13-17(10-2)18(11-3)14-20-16(6)19(7,8)12-4/h15-18H,9-14H2,1-8H3
InChIKeyNIKUBRDAOFERDY-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
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3,3,5,7-tetramethylnonane
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3,5-dimethylheptane;ethane
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2-[2-(2,2,5-trimethylheptan-3-yloxy)propoxy]propan-1-ol
CID 142712323
3-ethoxy-7-methyl-5-propan-2-ylnonane
CID 178133632
2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
CID 177210579
(2S,3R,5S)-3-ethyl-5-methylheptane-1,2-diol
CID 131854430
2,2,5-trimethyl-3-(3-methylhexoxy)heptane
CID 91278849

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane?
The IUPAC name of 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane (CID 144561168) is 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane.
What is the SMILES notation for 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane?
The canonical SMILES for 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane is CCC(C)CC(CC)C(CC)COC(C)C(C)(C)CC.
What is the InChIKey of 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane?
The InChIKey is NIKUBRDAOFERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-9-15(5)13-17(10-2)18(11-3)14-20-16(6)19(7,8)12-4/h15-18H,9-14H2,1-8H3.
What are the key properties of 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane?
3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane has a molecular weight of 284.53 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentan-2-yloxymethyl)-4-ethyl-6-methyloctane is sourced from PubChem (CID 144561168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).