carbonic acid;2-ethoxypropane-1,3-diol

C6H14O6 — CID 175422223

IUPACcarbonic acid;2-ethoxypropane-1,3-diol
SMILESCCOC(CO)CO.O=C(O)O
InChIInChI=1S/C5H12O3.CH2O3/c1-2-8-5(3-6)4-7;2-1(3)4/h5-7H,2-4H2,1H3;(H2,2,3,4)
InChIKeyMWBVJFJUCCDMRS-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.40
Rot. Bonds4

About carbonic acid;2-ethoxypropane-1,3-diol

carbonic acid;2-ethoxypropane-1,3-diol (PubChem CID 175422223) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is carbonic acid;2-ethoxypropane-1,3-diol.

Molecular Properties

Compound Namecarbonic acid;2-ethoxypropane-1,3-diol
PubChem CID175422223
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Namecarbonic acid;2-ethoxypropane-1,3-diol
SMILESCCOC(CO)CO.O=C(O)O
InChIInChI=1S/C5H12O3.CH2O3/c1-2-8-5(3-6)4-7;2-1(3)4/h5-7H,2-4H2,1H3;(H2,2,3,4)
InChIKeyMWBVJFJUCCDMRS-UHFFFAOYSA-N
XLogP-0.40
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethoxybutan-1-ol
CID 89167253
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
carbonic acid;1,1-diethoxyethane
CID 87827362
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
2-(1-hydroxypentan-2-yloxy)acetic acid
CID 91235022
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
2-ethoxypentyl hydrogen carbonate
CID 139923190
1-(1,3-dihydroxypropan-2-yloxymethoxy)butan-2-one
CID 170397090
3-ethoxypentyl hydrogen carbonate
CID 139923320

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-ethoxypropane-1,3-diol?
The IUPAC name of carbonic acid;2-ethoxypropane-1,3-diol (CID 175422223) is carbonic acid;2-ethoxypropane-1,3-diol.
What is the SMILES notation for carbonic acid;2-ethoxypropane-1,3-diol?
The canonical SMILES for carbonic acid;2-ethoxypropane-1,3-diol is CCOC(CO)CO.O=C(O)O.
What is the InChIKey of carbonic acid;2-ethoxypropane-1,3-diol?
The InChIKey is MWBVJFJUCCDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.CH2O3/c1-2-8-5(3-6)4-7;2-1(3)4/h5-7H,2-4H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-ethoxypropane-1,3-diol?
carbonic acid;2-ethoxypropane-1,3-diol has a molecular weight of 182.17 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-ethoxypropane-1,3-diol is sourced from PubChem (CID 175422223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).