(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane

C16H34O — CID 91827254

IUPAC(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
SMILESCCCC[C@@H](CC)COC[C@H](CC)CCCC
InChIInChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyYHCCCMIWRBJYHG-HZPDHXFCSA-N
MW242.45 g/mol
LogP5.44
Rot. Bonds12

About (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane (PubChem CID 91827254) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane.

Molecular Properties

Compound Name(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
PubChem CID91827254
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
SMILESCCCC[C@@H](CC)COC[C@H](CC)CCCC
InChIInChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyYHCCCMIWRBJYHG-HZPDHXFCSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
CID 88753128
CID 88753128
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
2-ethylhexoxymethanol
CID 18783221
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
3-(2-propan-2-yloxypropoxymethyl)heptane
CID 154279461
3-(prop-2-enoxymethyl)heptane
CID 3530837
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
3-(2-ethylhexoxy)-2-methylpropanenitrile
CID 43367482

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane?
The IUPAC name of (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane (CID 91827254) is (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane.
What is the SMILES notation for (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane?
The canonical SMILES for (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane is CCCC[C@@H](CC)COC[C@H](CC)CCCC.
What is the InChIKey of (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane?
The InChIKey is YHCCCMIWRBJYHG-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane?
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane has a molecular weight of 242.45 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane is sourced from PubChem (CID 91827254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).