3-(1-ethoxyethoxymethyl)heptane

C12H26O2 — CID 173293823

IUPAC3-(1-ethoxyethoxymethyl)heptane
SMILESCCCCC(CC)COC(C)OCC
InChIInChI=1S/C12H26O2/c1-5-8-9-12(6-2)10-14-11(4)13-7-3/h11-12H,5-10H2,1-4H3
InChIKeyKATPTQZUSUEBJP-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.60
Rot. Bonds9

About 3-(1-ethoxyethoxymethyl)heptane

3-(1-ethoxyethoxymethyl)heptane (PubChem CID 173293823) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(1-ethoxyethoxymethyl)heptane.

Molecular Properties

Compound Name3-(1-ethoxyethoxymethyl)heptane
PubChem CID173293823
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-(1-ethoxyethoxymethyl)heptane
SMILESCCCCC(CC)COC(C)OCC
InChIInChI=1S/C12H26O2/c1-5-8-9-12(6-2)10-14-11(4)13-7-3/h11-12H,5-10H2,1-4H3
InChIKeyKATPTQZUSUEBJP-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxyethoxymethyl)henhectane
CID 172814053
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
3-(difluoromethoxymethyl)heptane
CID 162429038
bis[1-(2-ethylhexoxy)ethyl] hydrogen phosphate
CID 175210786
3-(heptan-3-yloxymethyl)heptane
CID 90211738
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxy)hexane-2,5-diol
CID 123693494
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxymethyl)heptane?
The IUPAC name of 3-(1-ethoxyethoxymethyl)heptane (CID 173293823) is 3-(1-ethoxyethoxymethyl)heptane.
What is the SMILES notation for 3-(1-ethoxyethoxymethyl)heptane?
The canonical SMILES for 3-(1-ethoxyethoxymethyl)heptane is CCCCC(CC)COC(C)OCC.
What is the InChIKey of 3-(1-ethoxyethoxymethyl)heptane?
The InChIKey is KATPTQZUSUEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-8-9-12(6-2)10-14-11(4)13-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-(1-ethoxyethoxymethyl)heptane?
3-(1-ethoxyethoxymethyl)heptane has a molecular weight of 202.34 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxymethyl)heptane is sourced from PubChem (CID 173293823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).