(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol

C15H26O6 — CID 59905072

IUPAC(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
SMILESC=CCO[C@@H]([C@H](O)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O6/c1-6-7-17-13(11-9-19-15(4,5)21-11)12(16)10-8-18-14(2,3)20-10/h6,10-13,16H,1,7-9H2,2-5H3/t10-,11-,12-,13-/m1/s1
InChIKeyCXJDIFLJCLDDTH-FDYHWXHSSA-N
MW302.37 g/mol
LogP1.22
Rot. Bonds6

About (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol

(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol (PubChem CID 59905072) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol.

Molecular Properties

Compound Name(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
PubChem CID59905072
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
SMILESC=CCO[C@@H]([C@H](O)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O6/c1-6-7-17-13(11-9-19-15(4,5)21-11)12(16)10-8-18-14(2,3)20-10/h6,10-13,16H,1,7-9H2,2-5H3/t10-,11-,12-,13-/m1/s1
InChIKeyCXJDIFLJCLDDTH-FDYHWXHSSA-N
XLogP1.22
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The IUPAC name of (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol (CID 59905072) is (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol.
What is the SMILES notation for (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The canonical SMILES for (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol is C=CCO[C@@H]([C@H](O)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The InChIKey is CXJDIFLJCLDDTH-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H26O6/c1-6-7-17-13(11-9-19-15(4,5)21-11)12(16)10-8-18-14(2,3)20-10/h6,10-13,16H,1,7-9H2,2-5H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
(1R,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol has a molecular weight of 302.37 g/mol, XLogP of 1.22, 6 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[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol is sourced from PubChem (CID 59905072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).