3-(2-ethylhexoxymethyl)heptane;titanium

C16H34OTi — CID 87161815

IUPAC3-(2-ethylhexoxymethyl)heptane;titanium
SMILESCCCCC(CC)COCC(CC)CCCC.[Ti]
InChIInChI=1S/C16H34O.Ti/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3;
InChIKeyBSGHSLDKEDDYHI-UHFFFAOYSA-N
MW290.31 g/mol
LogP5.43
Rot. Bonds12

About 3-(2-ethylhexoxymethyl)heptane;titanium

3-(2-ethylhexoxymethyl)heptane;titanium (PubChem CID 87161815) has the molecular formula C16H34OTi and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(2-ethylhexoxymethyl)heptane;titanium.

Molecular Properties

Compound Name3-(2-ethylhexoxymethyl)heptane;titanium
PubChem CID87161815
Molecular FormulaC16H34OTi
Molecular Weight290.31 g/mol
Exact Mass290.21
IUPAC Name3-(2-ethylhexoxymethyl)heptane;titanium
SMILESCCCCC(CC)COCC(CC)CCCC.[Ti]
InChIInChI=1S/C16H34O.Ti/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3;
InChIKeyBSGHSLDKEDDYHI-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.31
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
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
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
3-(prop-2-enoxymethyl)heptane
CID 3530837
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
3-(2-ethylhexoxy)-2-methylpropanenitrile
CID 43367482

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxymethyl)heptane;titanium?
The IUPAC name of 3-(2-ethylhexoxymethyl)heptane;titanium (CID 87161815) is 3-(2-ethylhexoxymethyl)heptane;titanium.
What is the SMILES notation for 3-(2-ethylhexoxymethyl)heptane;titanium?
The canonical SMILES for 3-(2-ethylhexoxymethyl)heptane;titanium is CCCCC(CC)COCC(CC)CCCC.[Ti].
What is the InChIKey of 3-(2-ethylhexoxymethyl)heptane;titanium?
The InChIKey is BSGHSLDKEDDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.Ti/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3;.
What are the key properties of 3-(2-ethylhexoxymethyl)heptane;titanium?
3-(2-ethylhexoxymethyl)heptane;titanium has a molecular weight of 290.31 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxymethyl)heptane;titanium is sourced from PubChem (CID 87161815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).