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

C16H30O6 — CID 15929605

IUPAC(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCC1(CC)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(CC)(CC)O2)O1
InChIInChI=1S/C16H30O6/c1-5-15(6-2)19-9-11(21-15)13(17)14(18)12-10-20-16(7-3,8-4)22-12/h11-14,17-18H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyTXNONHSODIEOGH-AAVRWANBSA-N
MW318.41 g/mol
LogP1.57
Rot. Bonds7

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

(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 15929605) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID15929605
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCC1(CC)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(CC)(CC)O2)O1
InChIInChI=1S/C16H30O6/c1-5-15(6-2)19-9-11(21-15)13(17)14(18)12-10-20-16(7-3,8-4)22-12/h11-14,17-18H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyTXNONHSODIEOGH-AAVRWANBSA-N
XLogP1.57
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 15929605) is (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is CCC1(CC)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(CC)(CC)O2)O1.
What is the InChIKey of (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is TXNONHSODIEOGH-AAVRWANBSA-N. The full InChI is InChI=1S/C16H30O6/c1-5-15(6-2)19-9-11(21-15)13(17)14(18)12-10-20-16(7-3,8-4)22-12/h11-14,17-18H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 318.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 15929605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).