3-(2,2-dimethylpentoxymethyl)heptane

C15H32O — CID 137419140

IUPAC3-(2,2-dimethylpentoxymethyl)heptane
SMILESCCCCC(CC)COCC(C)(C)CCC
InChIInChI=1S/C15H32O/c1-6-9-10-14(8-3)12-16-13-15(4,5)11-7-2/h14H,6-13H2,1-5H3
InChIKeyUFRLWCZVJIFNDB-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.05
Rot. Bonds10

About 3-(2,2-dimethylpentoxymethyl)heptane

3-(2,2-dimethylpentoxymethyl)heptane (PubChem CID 137419140) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpentoxymethyl)heptane.

Molecular Properties

Compound Name3-(2,2-dimethylpentoxymethyl)heptane
PubChem CID137419140
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3-(2,2-dimethylpentoxymethyl)heptane
SMILESCCCCC(CC)COCC(C)(C)CCC
InChIInChI=1S/C15H32O/c1-6-9-10-14(8-3)12-16-13-15(4,5)11-7-2/h14H,6-13H2,1-5H3
InChIKeyUFRLWCZVJIFNDB-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-ethylhexoxymethanol
CID 18783221
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpentoxymethyl)heptane?
The IUPAC name of 3-(2,2-dimethylpentoxymethyl)heptane (CID 137419140) is 3-(2,2-dimethylpentoxymethyl)heptane.
What is the SMILES notation for 3-(2,2-dimethylpentoxymethyl)heptane?
The canonical SMILES for 3-(2,2-dimethylpentoxymethyl)heptane is CCCCC(CC)COCC(C)(C)CCC.
What is the InChIKey of 3-(2,2-dimethylpentoxymethyl)heptane?
The InChIKey is UFRLWCZVJIFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-6-9-10-14(8-3)12-16-13-15(4,5)11-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpentoxymethyl)heptane?
3-(2,2-dimethylpentoxymethyl)heptane has a molecular weight of 228.42 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpentoxymethyl)heptane is sourced from PubChem (CID 137419140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).