1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

C9H18O4 — CID 10750187

IUPAC1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCC1(CC)OC[C@@H](C(O)CO)O1
InChIInChI=1S/C9H18O4/c1-3-9(4-2)12-6-8(13-9)7(11)5-10/h7-8,10-11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyUQPOGEGLLUCIKF-MQWKRIRWSA-N
MW190.24 g/mol
LogP0.27
Rot. Bonds4

About 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 10750187) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID10750187
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCC1(CC)OC[C@@H](C(O)CO)O1
InChIInChI=1S/C9H18O4/c1-3-9(4-2)12-6-8(13-9)7(11)5-10/h7-8,10-11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyUQPOGEGLLUCIKF-MQWKRIRWSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 15929605
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(1R)-1-[(2R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 135037817
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
CID 72708076
(2S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10867343
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanol
CID 70141531
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144
(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 67888582

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 10750187) is 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is CCC1(CC)OC[C@@H](C(O)CO)O1.
What is the InChIKey of 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is UQPOGEGLLUCIKF-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-9(4-2)12-6-8(13-9)7(11)5-10/h7-8,10-11H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 10750187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).