(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol

C14H24O6 — CID 11254743

IUPAC(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol
SMILESC=CO[C@H](C1COC(C)(C)O1)[C@H](O)C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-6-16-12(10-8-18-14(4,5)20-10)11(15)9-7-17-13(2,3)19-9/h6,9-12,15H,1,7-8H2,2-5H3/t9?,10?,11-,12-/m1/s1
InChIKeyRYHBULXVXZGSNR-KIDURHIOSA-N
MW288.34 g/mol
LogP1.18
Rot. Bonds5

About (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol

(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol (PubChem CID 11254743) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol.

Molecular Properties

Compound Name(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol
PubChem CID11254743
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol
SMILESC=CO[C@H](C1COC(C)(C)O1)[C@H](O)C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-6-16-12(10-8-18-14(4,5)20-10)11(15)9-7-17-13(2,3)19-9/h6,9-12,15H,1,7-8H2,2-5H3/t9?,10?,11-,12-/m1/s1
InChIKeyRYHBULXVXZGSNR-KIDURHIOSA-N
XLogP1.18
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 20700280
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024
acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 71435688
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxybut-3-en-2-one
CID 10773890
(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 102376072
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
[(1S,2S)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-ethenylbenzoyl)oxyethyl] 4-ethenylbenzoate
CID 102439479
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol?
The IUPAC name of (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol (CID 11254743) is (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol.
What is the SMILES notation for (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol?
The canonical SMILES for (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol is C=CO[C@H](C1COC(C)(C)O1)[C@H](O)C1COC(C)(C)O1.
What is the InChIKey of (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol?
The InChIKey is RYHBULXVXZGSNR-KIDURHIOSA-N. The full InChI is InChI=1S/C14H24O6/c1-6-16-12(10-8-18-14(4,5)20-10)11(15)9-7-17-13(2,3)19-9/h6,9-12,15H,1,7-8H2,2-5H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol?
(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol has a molecular weight of 288.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol is sourced from PubChem (CID 11254743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).