1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate

C17H34O6 — CID 177094279

IUPAC1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate
SMILESCCCCC(CC)COCC(C)OC(=O)OCC(C)OCCO
InChIInChI=1S/C17H34O6/c1-5-7-8-16(6-2)13-20-11-15(4)23-17(19)22-12-14(3)21-10-9-18/h14-16,18H,5-13H2,1-4H3
InChIKeySVMXGVKCSNNXFD-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.16
Rot. Bonds14

About 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate

1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate (PubChem CID 177094279) has the molecular formula C17H34O6 and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate.

Molecular Properties

Compound Name1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate
PubChem CID177094279
Molecular FormulaC17H34O6
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC Name1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate
SMILESCCCCC(CC)COCC(C)OC(=O)OCC(C)OCCO
InChIInChI=1S/C17H34O6/c1-5-7-8-16(6-2)13-20-11-15(4)23-17(19)22-12-14(3)21-10-9-18/h14-16,18H,5-13H2,1-4H3
InChIKeySVMXGVKCSNNXFD-UHFFFAOYSA-N
XLogP3.16
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
butan-2-yl butan-2-yloxycarbonyloxy carbonate;2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate
CID 122553511
2-[1,3-bis[1-(2-ethylhexoxycarbonyloxy)propan-2-yloxy]propan-2-yloxy]propyl 2-ethylhexyl carbonate
CID 59502807
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
4-O-[1-[1-[2-[2-[4-(2-hydroxyethoxy)-4-oxobutanoyl]oxypropoxycarbonyloxy]propoxy]propan-2-yloxycarbonyloxy]propan-2-yl] 1-O-(2-hydroxyethyl) butanedioate
CID 126492818
2-[1-[1-(2-ethylhexoxy)propan-2-yloxy]propan-2-yloxycarbonylamino]ethyl 2,2-dimethylbutanoate
CID 121473987
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749603
3-(2-propan-2-yloxypropoxymethyl)heptane
CID 154279461

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate?
The IUPAC name of 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate (CID 177094279) is 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate.
What is the SMILES notation for 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate?
The canonical SMILES for 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate is CCCCC(CC)COCC(C)OC(=O)OCC(C)OCCO.
What is the InChIKey of 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate?
The InChIKey is SVMXGVKCSNNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6/c1-5-7-8-16(6-2)13-20-11-15(4)23-17(19)22-12-14(3)21-10-9-18/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate?
1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate has a molecular weight of 334.45 g/mol, XLogP of 3.16, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate is sourced from PubChem (CID 177094279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).