ethoxycyclopentane;methoxymethane;propane-1,2-diol

C12H28O4 — CID 66606332

IUPACethoxycyclopentane;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC1CCCC1.COC
InChIInChI=1S/C7H14O.C3H8O2.C2H6O/c1-2-8-7-5-3-4-6-7;1-3(5)2-4;1-3-2/h7H,2-6H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyJJSRJVSFTYQBRQ-UHFFFAOYSA-N
MW236.35 g/mol
LogP1.59
Rot. Bonds3

About ethoxycyclopentane;methoxymethane;propane-1,2-diol

ethoxycyclopentane;methoxymethane;propane-1,2-diol (PubChem CID 66606332) has the molecular formula C12H28O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethoxycyclopentane;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameethoxycyclopentane;methoxymethane;propane-1,2-diol
PubChem CID66606332
Molecular FormulaC12H28O4
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Nameethoxycyclopentane;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC1CCCC1.COC
InChIInChI=1S/C7H14O.C3H8O2.C2H6O/c1-2-8-7-5-3-4-6-7;1-3(5)2-4;1-3-2/h7H,2-6H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyJJSRJVSFTYQBRQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethoxycyclooctane
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azane;ethoxycyclooctane
CID 70271275
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CID 174681629
1-cyclododecyloxypropan-2-ol
CID 54403914
methoxymethane;propane-1,2-diol
CID 23435252
3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
CID 175276531
ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid
CID 67386497
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
1-(2-ethoxycyclopentyl)oxypropan-2-ol
CID 89392618
ethyl acetate;methoxymethane;propane-1,2-diol
CID 175107858
propane-1,2-diol
CID 23506506
1-(cyclohexyloxymethoxy)propan-1-ol
CID 20698641

Frequently Asked Questions

What is the IUPAC name of ethoxycyclopentane;methoxymethane;propane-1,2-diol?
The IUPAC name of ethoxycyclopentane;methoxymethane;propane-1,2-diol (CID 66606332) is ethoxycyclopentane;methoxymethane;propane-1,2-diol.
What is the SMILES notation for ethoxycyclopentane;methoxymethane;propane-1,2-diol?
The canonical SMILES for ethoxycyclopentane;methoxymethane;propane-1,2-diol is CC(O)CO.CCOC1CCCC1.COC.
What is the InChIKey of ethoxycyclopentane;methoxymethane;propane-1,2-diol?
The InChIKey is JJSRJVSFTYQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H8O2.C2H6O/c1-2-8-7-5-3-4-6-7;1-3(5)2-4;1-3-2/h7H,2-6H2,1H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of ethoxycyclopentane;methoxymethane;propane-1,2-diol?
ethoxycyclopentane;methoxymethane;propane-1,2-diol has a molecular weight of 236.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclopentane;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 66606332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).