3-(2-propan-2-yloxypropoxymethyl)heptane

C14H30O2 — CID 154279461

IUPAC3-(2-propan-2-yloxypropoxymethyl)heptane
SMILESCCCCC(CC)COCC(C)OC(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-14(7-2)11-15-10-13(5)16-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyYUFABGKXHDCWNL-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.03
Rot. Bonds10

About 3-(2-propan-2-yloxypropoxymethyl)heptane

3-(2-propan-2-yloxypropoxymethyl)heptane (PubChem CID 154279461) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-(2-propan-2-yloxypropoxymethyl)heptane.

Molecular Properties

Compound Name3-(2-propan-2-yloxypropoxymethyl)heptane
PubChem CID154279461
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-(2-propan-2-yloxypropoxymethyl)heptane
SMILESCCCCC(CC)COCC(C)OC(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-14(7-2)11-15-10-13(5)16-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyYUFABGKXHDCWNL-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
8-[2-[1-(2-heptyldecoxy)propan-2-yloxy]propoxymethyl]hexadecane
CID 175298314
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
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401
3-(2-ethylhexoxy)-2-methylpropanenitrile
CID 43367482
2-ethylhexoxy 1-(2-ethylhexoxy)propan-2-yl sulfate
CID 3017319
2-ethylhexoxymethanol
CID 18783221
sodium 2-ethylhexoxy 1-(2-ethylhexoxy)propan-2-yl sulfate
CID 3017318

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxypropoxymethyl)heptane?
The IUPAC name of 3-(2-propan-2-yloxypropoxymethyl)heptane (CID 154279461) is 3-(2-propan-2-yloxypropoxymethyl)heptane.
What is the SMILES notation for 3-(2-propan-2-yloxypropoxymethyl)heptane?
The canonical SMILES for 3-(2-propan-2-yloxypropoxymethyl)heptane is CCCCC(CC)COCC(C)OC(C)C.
What is the InChIKey of 3-(2-propan-2-yloxypropoxymethyl)heptane?
The InChIKey is YUFABGKXHDCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-8-9-14(7-2)11-15-10-13(5)16-12(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-(2-propan-2-yloxypropoxymethyl)heptane?
3-(2-propan-2-yloxypropoxymethyl)heptane has a molecular weight of 230.39 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxypropoxymethyl)heptane is sourced from PubChem (CID 154279461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).